SCHEMBL9099221

SCHEMBL9099221

C/C=C(/C)c1ccc(OC)cc1.COc1ccc(/C=C(\C)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NQO2 P16083 3/20 0.50
AKR1C3 P42330 2/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
F3 P13726 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
XDH P47989 1/20 0.46
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL1237225 0.89 AKR1C3 (0.62) KDM4EALDH1A1MAPTHPGDAKR1C3
SCHEMBL1237224 0.89 AKR1C3 (0.62) KDM4EALDH1A1MAPTHPGDAKR1C3
SCHEMBL20500020 0.89 AKR1C3 (0.62) KDM4EALDH1A1MAPTHPGDAKR1C3
Hydrochloric Acid SCHEMBL9445569 0.87 AKR1C3 (0.60) KDM4EALDH1A1MAPTHPGDAKR1C3
Hydrochloric Acid SCHEMBL9445568 0.87 AKR1C3 (0.60) KDM4EALDH1A1MAPTHPGDAKR1C3
SCHEMBL5078621 0.80 NQO2 (0.60) KDM4EALDH1A1MAPTHPGDNQO2
SCHEMBL5078619 0.80 NQO2 (0.60) KDM4EALDH1A1MAPTHPGDNQO2
SCHEMBL5080817 0.80 NQO2 (0.60) KDM4EALDH1A1MAPTHPGDNQO2
SCHEMBL502730 0.79 THRB (0.51) KDM4EALDH1A1MAPTHPGDAKR1C3
SCHEMBL15304532 0.79 CES2 (0.62) KDM4EALDH1A1MAPTHPGDAKR1C3

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-0707656-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
WO-1995002061-A1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1995-01-19 WO disclosed