SCHEMBL10521966

SCHEMBL10521966

O=C(O)C(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.72
▸ CYP1A2 P05177 1/20 0.68
▸ GRIK1 P39086 1/20 0.66
▸ CPA3 P15088 3/20 0.66
▸ CPA1 P15085 2/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ PTGES O14684 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A2 P43004 1/20 0.54
▸ SLC1A1 P43005 1/20 0.54
▸ LAP3 P28838 3/20 0.54
▸ ERAP2 Q6P179 2/20 0.54
▸ ERAP1 Q9NZ08 2/20 0.54
▸ ANPEP P15144 1/20 0.54

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
SCHEMBL10769990 1.00 FOLH1 (0.72) FOLH1CYP1A2GRIK1CPA3CPA1
SCHEMBL5966641 0.95 FOLH1 (0.70) FOLH1CYP1A2GRIK1CPA3CPA1
SCHEMBL27423810 0.95 FOLH1 (0.70) FOLH1CYP1A2GRIK1CPA3CPA1
SCHEMBL10521559 0.93 FOLH1 (0.68) FOLH1CYP1A2GRIK1CPA3CPA1
SCHEMBL23470222 0.92 FOLH1 (0.62) FOLH1CYP1A2GRIK1CPA3CPA1
SCHEMBL11664393 0.90 FOLH1 (0.79) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL1856639 0.90 GRIK1 (0.72) FOLH1CYP1A2GRIK1CPA3CPA1
SCHEMBL1859177 0.89 CYP1A2 (0.73) FOLH1CYP1A2CPA3CPA1CPB1
SCHEMBL1860416 0.87 GRIK1 (0.68) FOLH1CYP1A2GRIK1CPA3CPB2
SCHEMBL19821208 0.86 CYP1A2 (0.83) FOLH1CYP1A2CPA3CPA1CPB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 — — EP disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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