SCHEMBL10558519

SCHEMBL10558519

O=[C]C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.58
▸ HTT P42858 1/20 0.58
▸ KEAP1 Q14145 2/20 0.56
▸ NFE2L2 Q16236 2/20 0.56
▸ TGM2 P21980 1/20 0.55
▸ DPP8 Q6V1X1 1/20 0.54
▸ DPP7 Q9UHL4 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ ANPEP P15144 1/20 0.52
▸ MAPT P10636 1/20 0.52

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
SCHEMBL4539198 1.00 FOLH1 (0.58) FOLH1HTTKEAP1NFE2L2TGM2
SCHEMBL4560825 1.00 FOLH1 (0.58) FOLH1HTTKEAP1NFE2L2TGM2
SCHEMBL7361631 0.86 ITGB3 (0.52) DPP8
SCHEMBL7361628 0.86 ITGB3 (0.52) DPP8
SCHEMBL9301339 0.86 HTT (0.47) FOLH1HTTKEAP1NFE2L2TGM2
SCHEMBL27543265 0.86 HTT (0.47) FOLH1HTTKEAP1NFE2L2TGM2
SCHEMBL333826 0.86 HTT (0.47) FOLH1HTTKEAP1NFE2L2TGM2
SCHEMBL3151111 0.85 CTSL (0.62) —
SCHEMBL7164779 0.85 CTSL (0.62) —
SCHEMBL11311383 0.85 CTRB1 (0.48) HTT

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-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 — — US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 — — US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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