SCHEMBL18595441

SCHEMBL18595441

C(=C\Cc1ccccc1)\CCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.71
TOP1 P11387 1/20 0.53
GPR52 Q9Y2T5 10/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ARG2 P78540 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL28679572 1.00 MAOB (0.71) MAOBTOP1GPR52CA1CA2
SCHEMBL433496 1.00 MAOB (0.71) MAOBTOP1GPR52CA1CA2
SCHEMBL9715286 0.90 GPR52 (0.57) MAOBGPR52ALDH1A1HPGDALOX15
SCHEMBL7762164 0.90 GPR52 (0.57) MAOBGPR52ALDH1A1HPGDALOX15
SCHEMBL7762166 0.90 GPR52 (0.57) MAOBGPR52ALDH1A1HPGDALOX15
SCHEMBL9872529 0.88 MAOB (0.56) MAOBTOP1GPR52CA1CA2
SCHEMBL9872528 0.88 MAOB (0.56) MAOBTOP1GPR52CA1CA2
SCHEMBL28645454 0.85 MAOB (0.62) MAOBTOP1CA1CA2ARG2
SCHEMBL1524697 0.84 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL155054 0.84 MAOB (1.00) MAOBTOP1CA1CA2ARG2

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-9586981-B2 Z-selective metathesis catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 US disclosed