SCHEMBL9502547

SCHEMBL9502547

CCc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.64
ITGB3 P05106 2/20 0.63
ITGA2B P08514 2/20 0.63
CTSS P25774 6/20 0.57
CTSK P43235 5/20 0.57
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
PPARA Q07869 6/20 0.55
PPARG P37231 5/20 0.55
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
PTPN1 P18031 3/20 0.53
PPARD Q03181 2/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGB5 P18084 1/20 0.53
ATM Q13315 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
SCHEMBL16448191 1.00 ACE (0.64) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL7390262 0.89 ACE (0.61) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL5374891 0.89 ACE (0.61) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1368753 0.89 ACE (0.64) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1458942 0.89 PPARA (0.65) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL25284980 0.89 ACE (0.64) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL231980 0.89 CTSS (0.71) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL1310547 0.89 CTSS (0.71) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL25672 0.89 PPARA (0.65) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL5061931 0.89 PPARA (0.65) ACEITGB3ITGA2BCTSSCTSK

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-0538367-A1 DERIVATIVES OF PITUITARY POSTERIOR LOBE HORMONES Ferring AB (SE) 1993-04-28 EP disclosed
WO-1992000996-A1 DERIVATIVES OF PITUITARY POSTERIOR LOBE HORMONES FERRING AB (SE) 1992-01-23 WO disclosed