SCHEMBL27465015

SCHEMBL27465015

CC(=O)OC(=O)c1ccccc1C(=O)OCCCO

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.60
TDP1 Q9NUW8 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CYP3A4 P08684 3/20 0.58
MAPK1 P28482 2/20 0.58
TP53 P04637 1/20 0.58
ALDH1A1 P00352 7/20 0.57
LMNA P02545 1/20 0.57
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PTGS2 P35354 1/20 0.46
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
NPC1 O15118 1/20 0.41

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
SCHEMBL3219892 0.95 TSHR (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28290465 0.90 ALDH1A1 (0.58) TSHRTDP1L3MBTL1CYP3A4MAPK1
Methyl Alcohol SCHEMBL27495118 0.88 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1513967 0.88 TSHR (0.69) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28853026 0.86 TSHR (0.63) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5416441 0.85 TSHR (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27562850 0.84 TSHR (0.43) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27864832 0.83 TSHR (0.72) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27777690 0.83 ALDH1A1 (0.79) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL873755 0.83 TSHR (0.64) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108367008-A Pharmaceutical composition comprising doramevirine, tenofovir disoproxil fumarate and lamivudine 默沙东公司 2018-08-03 CN claimed
CN-103735515-A Polymer formulations of cetp inhibitors MERCK & CO INC 2014-04-23 CN claimed
CN-1859909-B Solid dispersions comprising tacrolimus LIFECYCLE PHARMA AS 2011-04-06 CN claimed
CN-101869561-A The improvement release composition that contains tacrolimus LIFECYCLE PHARMA AS 2010-10-27 CN claimed
CN-101652141-A The adjustment release dosage form of tacrolimus PANACEA BIOTEC LTD IN 2010-02-17 CN claimed
CN-101378731-A Polymer formulations of CETP inhibitors MERCK & CO INC (US) 2009-03-04 CN claimed
CN-1859910-A Modified release composition containing tacrolimus LIFECYCLE PHARMA AS (DK) 2006-11-08 CN claimed
CN-1859909-A Solid dispersions comprising tacrolimus LIFECYCLE PHARMA AS (DK) 2006-11-08 CN claimed
CN-1212832-C Soft capsule containing vinyl ester and poly ether polymer, its use and producing method BASF AG (DE) 2005-08-03 CN claimed
CN-1571658-A Pharmaceutical formulations comprising -bicalutamide ASTRAZENECA UK LTD (GB) 2005-01-26 CN claimed
CN-1326732-A Soft capsule containing vinyl ester and poly ether polymer, its use and producing method BASF AG (DE) 2001-12-19 CN claimed
CN-1094948-A Controlled release device GLAXO CANADA (CA) 1994-11-16 CN claimed
CN-110494142-A Treatment of cancer GILLIES MCINDOE RES INSTITUTE 2019-11-22 CN disclosed
CN-109897004-A The miscellaneous Shandong amine preparation of grace 麦迪威森前列腺医疗有限责任公司 2019-06-18 CN disclosed
CN-109674795-A Itraconazole composition and dosage form and its application method 梅恩医药国际有限公司 2019-04-26 CN disclosed
CN-109563176-A Cellulose acetate phthalate ether 陶氏环球技术有限责任公司 2019-04-02 CN disclosed
CN-1625389-A Method for preparing a homogeneous spray-dried solid amorphous drug dispersion using an improved spray-drying apparatus PFIZER (US) 2005-06-08 CN disclosed
CN-1571658-A Pharmaceutical formulations comprising -bicalutamide ASTRAZENECA UK LTD (GB) 2005-01-26 CN disclosed
CN-1474686-A Hydrolytically unstable compositions 弗・哈夫曼-拉罗切有限公司 2004-02-11 CN disclosed
CN-1326732-A Soft capsule containing vinyl ester and poly ether polymer, its use and producing method BASF AG (DE) 2001-12-19 CN disclosed