SCHEMBL4445959

SCHEMBL4445959

C=C(C)C(=O)OCCc1cc(C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 2/20 0.34
IGF2BP2 Q9Y6M1 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL7031661 0.90 NPC1 (0.43) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL5816097 0.89 NPC1 (0.41) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL29045420 0.88 NPC1 (0.42) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL29315787 0.87 NPC1 (0.52) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL106698 0.86 NPC1 (0.36) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL29372465 0.86 NPC1 (0.36) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL7031867 0.86 NPC1 (0.42) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL27909609 0.86 NPC1 (0.36) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL4453106 0.85 NPC1 (0.37) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL226076 0.85 NPC1 (0.48) NPC1RAB9APOLBSMN1; SMN2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256611-B1 Aqueous dispersion and coated product JSR CORP (JP) 2009-07-29 EP disclosed
EP-0806463-B2 Coating composition KANSAI PAINT CO LTD (JP) 2006-09-27 EP disclosed
US-6726997-B2 WWATERPROOF, HARDNESS, RATION TRANSPARENT; PROTECTIVE COATINGS JSR CORPORATION (JP) 2004-04-27 US disclosed
US-20030073779-A1 Aqueous dispersion and coated product JSR CORPORATION (JP) 2003-04-17 US disclosed
EP-1256611-A2 Aqueous dispersion and coated product JSR Corporation (JP) 2002-11-13 EP disclosed
EP-0806463-B1 Coating composition KANSAI PAINT CO LTD (JP) 2002-09-25 EP disclosed
US-5891961-A VINYL RESIN HAVING A STRUCTURE OF 2-(2'-HYDROXYPHENYL)-BENZOTRIAZOLE IN THE RESIN SKELETON AND A CROSSLINKING AGENT KANSAI PAINT CO., LTD (JP) 1999-04-06 US disclosed
EP-0806463-A2 Coating composition KANSAI PAINT CO., LTD. (JP) 1997-11-12 EP disclosed