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Sugi Predict / Compounds / SCHEMBL9325937

SCHEMBL9325937

SCHEMBL9325937

COC(=O)C(C)(C)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 9/20 0.57
▸ ADAM17 P78536 1/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL9311280 0.89 ALOX5 (0.56) ALOX5ADAM17MRGPRX4
SCHEMBL6035274 0.87 CACNA1B (0.55) MRGPRX4
SCHEMBL278302 0.82 ALOX5 (0.63) ALOX5
SCHEMBL9311274 0.81 ALOX5 (0.53) ALOX5ADAM17MRGPRX4
SCHEMBL9311160 0.79 ALOX5 (0.55) ALOX5
SCHEMBL9365927 0.78 ALOX5 (0.55) ALOX5
SCHEMBL9326493 0.78 ALOX5 (0.52) ALOX5ADAM17MRGPRX4
SCHEMBL9227065 0.78 ALOX5 (0.56) ALOX5
SCHEMBL10434695 0.77 ALOX5 (0.53) ALOX5
SCHEMBL9080859 0.77 ALOX5 (0.58) 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