SCHEMBL8773900

SCHEMBL8773900

C=CC(C=C)c1ccccc1.C=Cc1ccccc1C=C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.35
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
DPP4 P27487 2/20 0.33
MAPK1 P28482 1/20 0.33
F2 P00734 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL41440 0.88 TSHR (0.41) ALDH1A1TSHRLMNACYP2C19KDM4E
Lithium SCHEMBL10426887 0.80 ALDH1A1 (0.60) ALDH1A1TSHRLMNAMAPK1
Benzene SCHEMBL438681 0.80 ALDH1A1 (0.60) ALDH1A1TSHRLMNAALOX15
SCHEMBL4274701 0.78 ALDH1A1 (0.45) ALDH1A1TSHRLMNACYP2C19KDM4E
Aminodiphenylmethane SCHEMBL7897875 0.77 ALDH1A1 (0.48) ALDH1A1TSHRLMNAKDM4EDPP4
SCHEMBL29405187 0.77 ALDH1A1 (0.63) ALDH1A1TSHRLMNA
SCHEMBL473080 0.77 ALDH1A1 (0.63) ALDH1A1TSHRLMNA
SCHEMBL7638 0.77 ALDH1A1 (0.63) ALDH1A1TSHRLMNA
Benzene SCHEMBL1448798 0.75 ALDH1A1 (0.55) ALDH1A1TSHRLMNAMAPTALOX15
SCHEMBL10747253 0.74 CYP2C19 (0.35) ALDH1A1TSHRLMNACYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802928-A1 USE OF POLYGLYCEROL ALIPHATIC ETHER EMULSIFIERS IN MAKING HIGH INTERNAL PHASE EMULSIONS THAT CAN BE POLYMERIZED TO PROVIDE ABSORBENT FOAMS THE PROCTER & GAMBLE COMPANY (US) 1997-10-29 EP disclosed
WO-1996021679-A1 USE OF POLYGLYCEROL ALIPHATIC ETHER EMULSIFIERS IN MAKING HIGH INTERNAL PHASE EMULSIONS THAT CAN BE POLYMERIZED TO PROVIDE ABSORBENT FOAMS THE PROCTER & GAMBLE COMPANY (US) 1996-07-18 WO disclosed