SCHEMBL7197698

SCHEMBL7197698

C=C(CCC)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
AKR1B1 P15121 1/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7193418 0.88 MEN1 (0.47) CES2CES1AKR1B1TP53MEN1
SCHEMBL4920838 0.86 MEN1 (0.54) CES2CES1TP53MEN1KMT2A
SCHEMBL22431869 0.85 CES2 (0.44) L3MBTL1CYP3A4CYP2C19CES2CES1
Water SCHEMBL9769518 0.84 MEN1 (0.53) CES2CES1TP53MEN1KMT2A
SCHEMBL2313487 0.82 CES1 (0.46) L3MBTL1CES2CES1AKR1B1TP53
SCHEMBL2241627 0.81 CES1 (0.55) L3MBTL1CES2CES1AKR1B1MEN1
SCHEMBL11645900 0.80 TDP1 (0.46) L3MBTL1CES2CES1AKR1B1MEN1
SCHEMBL24434862 0.79 MAPT (0.39) CYP3A4CYP2C19
Ammonia Solution, Strong SCHEMBL574785 0.79 CES1 (0.52) L3MBTL1CES2CES1AKR1B1MEN1
Ammonia Solution, Strong SCHEMBL27465072 0.79 CES1 (0.52) L3MBTL1CES2CES1AKR1B1MEN1

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-0915913-A1 HIGH INTERNAL PHASE EMULSIONS AND POROUS MATERIALS PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1999-05-19 EP claimed
WO-1998051713-A1 HIGH INTERNAL PHASE EMULSIONS AND POROUS MATERIALS PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1998-11-19 WO claimed
US-6534595-B2 Blend of thermosetting resin, decomposable resin and solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-18 US disclosed
US-20010038887-A1 Coating solution for forming porous organic film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-5559143-A Serotonin 5HT1A agonistic method MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
US-5387604-A 1,4 benzodioxin derivatives and their use as serotonin 5HT1A agonists MERRELL DOW PHARMACEUTICALS INC. (US) 1995-02-07 US disclosed
US-5189179-A SEROTONIN 5HT1A AGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0478954-A1 Serotonin 5HT1A and 5HT1D antagonists MERRELL PHARMACEUTICALS INC. (US) 1992-04-08 EP disclosed