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SCHEMBL9325922

SCHEMBL9325922

C=CCC(CC)(C(=O)OCC)c1cccc(OCc2ccc3c(ccc(=O)n3C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 18/20 0.54
▸ CYP2D6 P10635 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL9326000 0.93 ALOX5 (0.59) ALOX5CYP2D6HRH3
SCHEMBL9325979 0.87 ALOX5 (0.58) ALOX5CYP2D6HRH3
SCHEMBL9081529 0.84 ALOX5 (0.58) ALOX5CYP2D6HRH3
SCHEMBL9080239 0.81 ALOX5 (0.51) ALOX5CYP2D6HRH3
SCHEMBL9080837 0.80 ALOX5 (0.52) ALOX5CYP2D6HRH3
SCHEMBL9326493 0.79 ALOX5 (0.52) ALOX5
SCHEMBL9080279 0.78 ALOX5 (0.55) ALOX5CYP2D6HRH3
SCHEMBL9080659 0.77 ALOX5 (0.53) ALOX5CYP2D6HRH3
SCHEMBL9327826 0.76 ALDH1A1 (0.40) —
SCHEMBL9079276 0.74 ALOX5 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298511-A Alkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-29 — — US claimed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 — — EP claimed
US-5298511-A Alkanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-29 — — US disclosed
EP-0540165-A1 Alkanoic acid derivatives ZENECA LIMITED (GB) 1993-05-05 — — EP disclosed