SCHEMBL9064288

SCHEMBL9064288

Oc1ccc2c(c1-c1ccccc1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALOX5 P09917 2/20 0.39
CNR2 P34972 1/20 0.38
ERN1 O75460 1/20 0.37
MTNR1A P48039 5/20 0.37
KIF11 P52732 1/20 0.37
MTNR1B P49286 4/20 0.36
FABP4 P15090 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB2 P05107 1/20 0.34

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
SCHEMBL10699442 0.73 SRC (0.38) MTNR1AMTNR1BKDM4EALDH1A1CYP1A2
SCHEMBL10699649 0.73 MTNR1A (0.34) ALOX5MTNR1AKIF11MTNR1BFABP4
SCHEMBL8473747 0.72 KIF11 (0.37) MTNR1AKIF11MTNR1BKDM4EALDH1A1
SCHEMBL3716928 0.71 ALOX5 (0.39) MAOAMAOBALOX5ERN1MTNR1A
SCHEMBL9135669 0.71 ESR2 (0.38) ALOX5KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL5506295 0.71 MAOA (0.46) MAOAMAOBALOX5ERN1MTNR1A
SCHEMBL4556562 0.70 HSP90AA1 (0.49) ALOX5CYP1A2MAPTMEN1KMT2A
SCHEMBL88337 0.70 ITGB2 (0.42) MAOAMAOBMTNR1AMTNR1BITGB2
SCHEMBL30054966 0.70 ITGB2 (0.42) MAOAMAOBMTNR1AMTNR1BITGB2
SCHEMBL1760592 0.70 ESR2 (0.53) MAOAALOX5KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571442-A SILICONE OIL, DICARBOXYLIC ACID MONOESTER EMULSIFIER, AMINOCARBOXYLIC ACID MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 1996-11-05 US disclosed