SCHEMBL6966016

SCHEMBL6966016

[O]C(=O)C=CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
TOP1 P11387 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ARG2 P78540 1/20 0.50
GPR52 Q9Y2T5 4/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL28207217 0.85 ALDH1A1 (0.48) MAOBCES2CES1ALDH1A1LMNA
SCHEMBL2280548 0.84 MAOB (0.61) MAOBTOP1CA1CA2ARG2
SCHEMBL1233515 0.84 MAOB (0.61) MAOBTOP1CA1CA2ARG2
SCHEMBL2555173 0.84 MAOB (0.61) MAOBTOP1CA1CA2ARG2
SCHEMBL9298956 0.84 MAOB (0.61) MAOBTOP1CA1CA2ARG2
SCHEMBL11974561 0.83 MAOB (0.58) MAOBTOP1CA1CA2ARG2
SCHEMBL9111576 0.83 MAOB (0.58) MAOBTOP1CA1CA2ARG2
SCHEMBL9111579 0.83 MAOB (0.58) MAOBTOP1CA1CA2ARG2
SCHEMBL3946824 0.81 MAOB (0.56) MAOBTOP1CA1CA2ARG2
SCHEMBL3946822 0.81 MAOB (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414525-A Photocurable resin composition 电化株式会社 2017-02-15 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed