SCHEMBL820636

SCHEMBL820636

C=Cc1ccccc1C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29030417 0.90 ALDH1A1 (0.40) NPC1PDCD1CD274ALDH1A1KDM4E
SCHEMBL1897705 0.87 NPC1 (0.39) NPC1PDCD1CD274CA12CA1
SCHEMBL1896072 0.87 NPC1 (0.38) NPC1ALDH1A1CYP3A4HSD17B10KMT2A
SCHEMBL1895797 0.85 NPC1 (0.37) NPC1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL28652003 0.85 CA12 (0.53) NPC1PDCD1CD274CA12CA1
SCHEMBL2222781 0.84 NPC1 (0.51) NPC1PDCD1CD274CA12CA1
SCHEMBL1899945 0.82 CYP3A4 (0.37) NPC1ALDH1A1CYP3A4HSD17B10MEN1
SCHEMBL1897725 0.82 TSHR (0.40) NPC1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL1899421 0.82 NPC1 (0.35) NPC1PDCD1CD274ALDH1A1CYP3A4
SCHEMBL137907 0.81 NPC1 (0.62) NPC1PDCD1CD274CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282009-A1 Free-radical Curable Isobutylene-rich Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2011-11-17 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7270928-B2 Isocyanate composition, microcapsule and production method thereof, and recording material FUJIFILM CORPORATION (JP) 2007-09-18 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
US-20050153839-A1 Isocyanate composition, microcapsule and production method thereof, and recording material FUJI PHOTO FILM CO., LTD. 2005-07-14 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed