SCHEMBL7323392

SCHEMBL7323392

N[C@@H](Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MMP2 P08253 3/20 0.51
▸ MMP9 P14780 3/20 0.51
▸ TGM2 P21980 3/20 0.51
▸ FOLH1 Q04609 2/20 0.49
▸ MMP1 P03956 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP7 P09237 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ REN P00797 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ SIRT2 Q8IXJ6 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
SCHEMBL7329311 0.84 ALDH1A1 (0.53) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9498688 0.84 FOLH1 (0.67) MMP2MMP9FOLH1CPB1CPB2
SCHEMBL9556385 0.80 ALDH1A1 (0.58) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17073781 0.78 CTSL (0.63) MMP2MMP9FOLH1CA1CA2
SCHEMBL10771246 0.77 FOLH1 (0.62) MMP2MMP9FOLH1CPB1CPB2
SCHEMBL9495193 0.77 CA1 (0.63) FOLH1CA1CA2CPB1CPB2
Hydrochloric Acid SCHEMBL9319023 0.76 FOLH1 (0.53) FOLH1CA1CA2CPB1CPB2
Hydrochloric Acid SCHEMBL9494357 0.76 CA1 (0.62) FOLH1CA1CA2CPB1CPB2
SCHEMBL7359178 0.75 DPP8 (0.46) TGM2FOLH1RENDPP8DPP7
SCHEMBL1509765 0.75 CPB1 (0.70) MMP2MMP9FOLH1CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198426-A RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1993-03-30 — — US disclosed
WO-1990007521-A1 RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1990-07-12 — — WO disclosed
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