SCHEMBL11744597

SCHEMBL11744597

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.63
▸ PTPN1 P18031 3/20 0.58
▸ PRSS1 P07477 6/20 0.57
▸ PRSS2 P07478 6/20 0.57
▸ PRSS3 P35030 6/20 0.57
▸ CTSL P07711 1/20 0.57
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ GPR132 Q9UNW8 2/20 0.50
▸ TMPRSS15 P98073 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ PPARG P37231 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48

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) CA2PTPN1CTSLITGB3ITGA2B
SCHEMBL10802837 0.88 CTSL (0.71) CA2PTPN1CTSLITGB3ITGA2B
SCHEMBL11745003 0.88 CA2 (0.69) CA2PTPN1PRSS1PRSS2PRSS3
SCHEMBL11746310 0.88 CTSL (0.57) CA2PTPN1PRSS1PRSS2PRSS3
SCHEMBL11751332 0.88 CTSL (0.60) CA2PTPN1PRSS1PRSS2PRSS3
SCHEMBL12029785 0.85 CTSL (0.58) CA2PTPN1PRSS1PRSS2PRSS3
SCHEMBL11746757 0.85 PRSS1 (0.58) CA2PTPN1PRSS1PRSS2PRSS3
SCHEMBL11747136 0.83 CA2 (0.67) CA2PTPN1CTSLITGB3ITGA2B
SCHEMBL11781869 0.83 CTSL (0.48) CA2PTPN1PRSS1PRSS2PRSS3
SCHEMBL13669574 0.83 CA2 (0.70) CA2PTPN1CTSLGPR132CA1

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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