SCHEMBL8499774

SCHEMBL8499774

CC(=O)N[C@@H](Cc1cccc(CNC(=O)c2cccc(NC(=N)N)c2)c1)C(=O)O.N=C(N)Nc1cccc(CC(=O)Nc2ccccc2CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 5/20 0.42
ITGB1 P05556 3/20 0.42
ITGA4 P13612 2/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 2/20 0.41
ITGAV P06756 2/20 0.41
ITGB5 P18084 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRB2 P62993 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
PPARG P37231 2/20 0.39
CCKAR P32238 2/20 0.39
CCKBR P32239 2/20 0.39
PLAU P00749 1/20 0.39
PLAUR Q03405 1/20 0.39

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
SCHEMBL7861992 0.85 ITGB3 (0.52) SENP1ITGB1ITGB3ITGA2BITGAV
SCHEMBL7864217 0.85 ITGB3 (0.52) SENP1ITGB1ITGB3ITGA2BITGAV
SCHEMBL7856521 0.75 PPARG (0.60) SENP1ITGB1ITGB3ITGA2BITGAV
SCHEMBL7377637 0.75 MAPT (0.55) SENP1ITGB3ITGA2BPPARG
SCHEMBL7862001 0.74 ITGB3 (0.48) SENP1ITGB1ITGB3ITGA2BITGAV
SCHEMBL7861998 0.74 ITGB3 (0.48) SENP1ITGB1ITGB3ITGA2BITGAV
SCHEMBL7377320 0.74 ITGB1 (0.70) ITGB1ITGA4ITGB3ITGA2BITGAV
SCHEMBL7377326 0.74 ITGB1 (0.70) ITGB1ITGA4ITGB3ITGA2BITGAV
SCHEMBL7856474 0.73 SIRT2 (0.51) SENP1ALDH1A1L3MBTL1SIRT2PPARG
SCHEMBL8497730 0.71 SENP1 (0.48) SENP1ITGB3ITGA2BITGAVPPARG

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-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed