SCHEMBL11639718

SCHEMBL11639718

CSc1coc2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.51
▸ MAOA P21397 5/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ PTGS2 P35354 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PGAM1 P18669 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL11394273 0.81 MAOB (0.51) MAOBMAOAPTPN1PTGS2ALDH1A1
SCHEMBL8786734 0.81 MAOB (0.51) MAOBMAOAPTPN1PTGS2ALDH1A1
SCHEMBL11405457 0.81 PTGS2 (0.50) MAOBMAOAPTPN1PTGS2SMN1; SMN2
SCHEMBL9246490 0.79 MAOB (0.51) MAOBMAOAPTPN1PTGS2ALDH1A1
SCHEMBL9618068 0.79 MAOB (0.57) MAOBMAOAPTPN1PTGS2ALDH1A1
SCHEMBL29016986 0.77 MAOB (0.47) MAOBMAOAPTPN1PTGS2ALDH1A1
SCHEMBL9618120 0.77 MAOB (0.60) MAOBMAOAPTPN1ALDH1A1SMN1; SMN2
Methylchromone SCHEMBL25934 0.75 MAOB (0.56) MAOBMAOAPTPN1PTGS2ALDH1A1
Methylchromone SCHEMBL29387804 0.75 MAOB (0.56) MAOBMAOAPTPN1PTGS2ALDH1A1
SCHEMBL12622644 0.74 MAOB (0.51) MAOBMAOAPTPN1PTGS2ALDH1A1

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-4127669-A [(4-Oxo-4H-1-benzopyran-3-yl)oxy] acetic acids and derivatives WARNER-LAMBERT COMPANY (US) 1978-11-28 — — US disclosed
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