SCHEMBL11746310

SCHEMBL11746310

O=C(N[C@@H](Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.57
▸ CA2 P00918 8/20 0.54
▸ PTPN1 P18031 2/20 0.53
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ TMPRSS15 P98073 2/20 0.50
▸ CA1 P00915 2/20 0.49
▸ GPR132 Q9UNW8 2/20 0.49
▸ FPR2 P25090 2/20 0.47
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46

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
SCHEMBL11746806 0.88 CTSL (0.71) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL10802837 0.88 CTSL (0.71) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL11745003 0.88 CA2 (0.69) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL11744597 0.88 CA2 (0.63) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL11751332 0.88 CTSL (0.60) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL11746757 0.85 PRSS1 (0.58) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL12029785 0.85 CTSL (0.58) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL11747136 0.83 CA2 (0.67) CTSLCA2PTPN1ITGB3ITGA2B
SCHEMBL1122708 0.82 GPR132 (0.69) PTPN1ITGB3ITGA2BGPR132
SCHEMBL12029822 0.82 CA2 (0.62) CTSLCA2PTPN1ITGB3ITGA2B

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-4004008-A ANTISPASMODIC, VASODILATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1977-01-18 — — US disclosed
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