SCHEMBL7323375

SCHEMBL7323375

O=C(NCCCC[C@H](NC(=O)C1CCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.66
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP13 P45452 1/20 0.52
ACE P12821 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
SCHEMBL10770977 0.97 FOLH1 (0.64) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL10772400 0.96 FOLH1 (0.68) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL464715 0.85 FOLH1 (0.78) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL4561005 0.85 FOLH1 (0.78) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL806151 0.85 FOLH1 (0.78) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL17646349 0.84 TGM2 (0.51) FOLH1MMP2MMP9ITGB3ITGA2B
SCHEMBL19665781 0.84 TGM2 (0.51) FOLH1MMP2MMP9ITGB3ITGA2B
SCHEMBL5775538 0.83 PTGER4 (0.62) FOLH1CPB1CPB2ITGB3ITGA2B
SCHEMBL17646277 0.82 F2 (0.49) FOLH1MMP2MMP9ITGB3ITGA2B
SCHEMBL464671 0.82 FOLH1 (0.64) FOLH1MMP2MMP9CPB1CPB2

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
EP-0231919-B1 N-HETEROCYCLIC ALCOHOL RENIN INHIBITORS E.R. Squibb & Sons, Inc. (US) 1993-01-20 EP disclosed
EP-0249445-A2 Substituted aminoalkanoylaminoalkyl phosphonate angiotensin converting enzyme inhibitors E.R. Squibb & Sons, Inc. (US) 1987-12-16 EP disclosed
EP-0231919-A2 N-Heterocyclic alcohol renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-08-12 EP disclosed