SCHEMBL9735586

SCHEMBL9735586

COCC1(C)C=C(n2ccccc2=O)c2cc(C(N)=O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.39
ALOX5 P09917 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KLKB1 P03952 1/20 0.30
ELOVL6 Q9H5J4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BRPF1 P55201 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9736905 0.90 ALOX5 (0.39) F10ALOX5KDM4EALDH1A1SMN1; SMN2
SCHEMBL7277331 0.84 F10 (0.40) F10KDM4EBRD4ALDH1A1BRPF1
SCHEMBL9736934 0.84 NPSR1 (0.33) KDM4E
SCHEMBL9194883 0.81 PDE4A (0.36)
SCHEMBL9735809 0.81 MEN1 (0.35) ALDH1A1
SCHEMBL7268034 0.76 ALOX5 (0.40) F10ALOX5ALDH1A1SMN1; SMN2
SCHEMBL8085330 0.76 F10 (0.40) F10ELOVL6KDM4EBRD4ALDH1A1
SCHEMBL7276973 0.75 F10 (0.33) F10
SCHEMBL8090551 0.75 RARA (0.41) ALOX5KDM4EALDH1A1HSD17B10
SCHEMBL7277136 0.75 S100A4 (0.38) F10KDM4EALDH1A1

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed