SCHEMBL3630971

SCHEMBL3630971

[CH2]C(Cc1ccccc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
SLC6A2 P23975 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
EPHX1 P07099 1/20 0.41
TRPA1 O75762 2/20 0.41
TP53 P04637 1/20 0.41
SLC18A2 Q05940 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL8072683 0.84 SIGMAR1 (0.42) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8072690 0.81 LTA4H (0.42) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL113325 0.80 TAAR1 (0.48) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL5598628 0.80 PPARG (0.42) TP53L3MBTL1PPARGPPARA
SCHEMBL8080331 0.80 CSNK1E (0.43) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL2700588 0.78 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL3863114 0.78 TAAR1 (0.46) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL16020623 0.78 CSNK1E (0.45) TP53
SCHEMBL8084672 0.78 CSNK1E (0.45) TP53
SCHEMBL8080276 0.78 CSNK1E (0.45) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO claimed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
US-5580410-A Pre-conditioning a substrate for accelerated dispersed dye sublimation printing DELTA TECHNOLOGY, INC. (US) 1996-12-03 US disclosed
WO-1996018509-A1 PRE-CONDITIONING A SUBSTRATE FOR ACCELERATED DISPERSED DYE SUBLIMATION DELTA TECHNOLOGY, INC. (US) 1996-06-20 WO disclosed