SCHEMBL9265290

SCHEMBL9265290

O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(C4CC(O)CCO4)c3)cc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.63
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ESR1 P03372 1/20 0.46
AR P10275 1/20 0.46
NPC1 O15118 1/20 0.46
MAOA P21397 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9269565 0.90 MAOB (0.49) MAOBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL9261102 0.90 MAOB (0.49) MAOBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL9254545 0.90 MAOB (0.61) MAOBALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL9264414 0.85 ALOX5 (0.57) MAOBALDH1A1HPGDSMN1; SMN2USP2
SCHEMBL9301469 0.83 ALOX5 (0.47)
SCHEMBL9301392 0.82 ALOX5 (0.58)
SCHEMBL9156957 0.82 MAOB (0.39) MAOB
SCHEMBL9161283 0.82 ALOX5 (0.45) MAOBALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9302530 0.82 P2RY14 (0.63)
SCHEMBL9300305 0.81 ALOX5 (0.59)

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
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 US disclosed