SCHEMBL9645947

SCHEMBL9645947

O=c1c2ccc(O)cc2[nH]n1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADAM17 P78536 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
SCHEMBL9646339 0.84 ALOX5 (0.51) ALOX5
SCHEMBL9646895 0.82 ALOX5 (0.59) ALOX5
SCHEMBL9646598 0.81 ALOX5 (0.59) ALOX5
SCHEMBL9645952 0.81 ALOX5 (0.70) ALOX5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9647813 0.79 ADAM17 (0.55) ALOX5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9646320 0.75 ALOX5 (0.51) ALOX5ALDH1A1
SCHEMBL9646981 0.71 ALOX5 (0.66) ALOX5KDM4EALDH1A1HPGD
SCHEMBL1069838 0.70 ALOX5 (0.59) ALOX5
SCHEMBL9646928 0.70 ALOX5 (0.59) ALOX5
SCHEMBL18149885 0.70 NPSR1 (0.49) ALOX5

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-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed