SCHEMBL5524539

SCHEMBL5524539

CCCCCC(C(=O)O)n1cccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ACE2 Q9BYF1 1/20 0.42
PPARG P37231 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18258631 0.98 GPR84 (0.48) NPSR1HSD17B10GPR84FFAR1MAPT
SCHEMBL3868378 0.98 GPR84 (0.48) NPSR1HSD17B10GPR84FFAR1MAPT
SCHEMBL18258587 0.94 NPSR1 (0.49) NPSR1HSD17B10GPR84FFAR1MAPT
SCHEMBL18258589 0.94 NPSR1 (0.49) NPSR1HSD17B10GPR84FFAR1MAPT
SCHEMBL18258632 0.86 NPSR1 (0.52) NPSR1HSD17B10MAPTPPARGMAPK1
SCHEMBL5512388 0.86 NPSR1 (0.52) NPSR1HSD17B10MAPTPPARGMAPK1
SCHEMBL11533629 0.81 HSD17B10 (0.47) NPSR1HSD17B10FFAR1MAPTPPARG
SCHEMBL11536585 0.80 HSD17B10 (0.46) NPSR1HSD17B10FFAR1MAPTMAPK1
SCHEMBL11537625 0.80 HSD17B10 (0.46) NPSR1HSD17B10FFAR1MAPTMAPK1
SCHEMBL5057353 0.80 NPSR1 (0.46) NPSR1HSD17B10PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100471836-C Crystalline forms VI and VII of atorvastatin calcium REDDYS LAB LTD DR (IN) 2009-03-25 CN claimed
CN-1537098-A Crystalline forms VI and VII of atorvastatin calcium ʵ 2004-10-13 CN claimed
CN-1087288-C Crystalline [R-(R',R')]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(5-methylethyl)-3-phenyl-4-(phenylamino) carbonyl]-1H-pyrole-1-heptanoic acid hemi calcium salt (atorvastatin) WARNER LAMBERT CO (US) 2002-07-10 CN claimed
CN-1190955-A Crystalline [R-(R',R')]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(5-methylethyl)-3-phenyl-4-(phenylamino) carbonyl]-1H-pyrole-1-heptanoic acid hemi calcium salt (atorvastatin) WARMER LAMBERT CO (US) 1998-08-19 CN claimed
CN-1089614-A Alpha-phosphonosulfonate squalene synthetase inhibitors and method SQUIBB & SONS INC (US) 1994-07-20 CN claimed
CN-109771650-A The composition being made of rush histamine release object and two substituted biphenyl derivatives 黄泳华 2019-05-21 CN disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
CN-1946687-B Polymorphic substance of atorvastatin tert-butyl ester and application of polymorphic substance as intermediate in preparation of atorvastatin KRKA TOVARNA ZDRAVIL D D NOVO MESTO 2011-09-28 CN disclosed
CN-101560177-A Preparation method of atorvastatin calcium BEIJING WANQUAN SUNSHINE MEDIC (CN) 2009-10-21 CN disclosed
CN-101538238-A Polymorphs of atorvastatin tert.-butylester and use as intermediates for the preparation of atorvastatin KRKA TOVARNA ZDRAVIL D D NOVO 2009-09-23 CN disclosed
CN-100482645-C Methods of reversing and preventing cardiovascular pathologies ATHEROGENICS INC (US) 2009-04-29 CN disclosed
CN-101420991-A Polymer compositions and methods for their use ANGIOTECH INT AG (CH) 2009-04-29 CN disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
CN-1537098-A Crystalline forms VI and VII of atorvastatin calcium ʵ 2004-10-13 CN disclosed
CN-1157374-C Process for preparation of amorphous atorvastatin calcium ����˹ҩ�﹤�� 2004-07-14 CN disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed
CN-1379760-A Process for the preparation of amorphous atorvastatin calcium EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2002-11-13 CN disclosed
CN-1087288-C Crystalline [R-(R',R')]-2-(4-fluorophenyl)-beta, delta-dihydroxy-5-(5-methylethyl)-3-phenyl-4-(phenylamino) carbonyl]-1H-pyrole-1-heptanoic acid hemi calcium salt (atorvastatin) WARNER LAMBERT CO (US) 2002-07-10 CN disclosed
CN-1130188-A Salt of phosphonocarboxyl sulfonate zoomaricoene synthetic inhibitor and method BRISTOL MYERS SKIP CO (US) 1996-09-04 CN disclosed
CN-1089614-A Alpha-phosphonosulfonate squalene synthetase inhibitors and method SQUIBB & SONS INC (US) 1994-07-20 CN disclosed