SCHEMBL11023043

SCHEMBL11023043

CCOC(=O)C(CCCCNC(=O)OCc1ccccc1)N[C@@H](C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.58
▸ MMP2 P08253 3/20 0.55
▸ MMP9 P14780 3/20 0.55
▸ CPB1 P15086 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ SIRT2 Q8IXJ6 2/20 0.53
▸ SIRT1 Q96EB6 2/20 0.53
▸ ACE P12821 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP7 P09237 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50

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
SCHEMBL11024671 1.00 FOLH1 (0.58) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL9810164 0.97 FOLH1 (0.53) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL9810168 0.97 FOLH1 (0.53) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL9738061 0.88 FOLH1 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL9738069 0.88 FOLH1 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL6823763 0.84 FOLH1 (0.58) FOLH1MMP2MMP9SIRT2SIRT1
SCHEMBL9856603 0.83 SIRT2 (0.52) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL6827646 0.83 HTT (0.59) FOLH1MMP2MMP9SIRT2SIRT1
SCHEMBL25453638 0.82 CA1 (0.61) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL11758185 0.82 HTT (0.58) FOLH1MMP2MMP9SIRT2SIRT1

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
EP-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 — — EP disclosed
EP-0088350-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-09-14 — — EP disclosed
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