SCHEMBL9136135

SCHEMBL9136135

O=c1ccc2ccc(OCc3ccccc3)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
MAOB P27338 6/20 0.55
MAOA P21397 5/20 0.55
CYP3A4 P08684 2/20 0.55
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
MTNR1A P48039 1/20 0.54
KMT2A Q03164 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TOP1 P11387 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
GSTP1 P09211 1/20 0.49

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
SCHEMBL9136526 0.82 RXRA (0.49) ALOX5MAOBMAOACYP3A4NPC1
SCHEMBL27664686 0.81 ALOX5 (0.57) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL27970437 0.79 ALOX5 (0.58) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL27643424 0.79 ALOX5 (0.58) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL5452956 0.78 ALOX5 (0.54) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL17347192 0.78 NR4A2 (0.54) ALOX5CYP3A4CA12CA9CA1
SCHEMBL5444314 0.78 MRGPRX4 (0.69) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL6807350 0.78 ALOX5 (0.57) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL30430896 0.77 ALOX5 (0.55) ALOX5MAOBMAOACYP3A4CA12
SCHEMBL5442084 0.77 ALOX5 (0.55) ALOX5MAOBMAOACYP3A4CA12

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-5414006-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed