SCHEMBL2777992

SCHEMBL2777992

CNc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
ITGB1 P05556 2/20 0.52
ITGA4 P13612 1/20 0.52
ITGAV P06756 1/20 0.51
ITGB5 P18084 1/20 0.51
FOLH1 Q04609 2/20 0.49
GNPAT O15228 1/20 0.48
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
CPA1 P15085 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PAM P19021 1/20 0.48
FPR2 P25090 5/20 0.47
TACR1 P25103 1/20 0.47

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
SCHEMBL6776761 1.00 LMNA (0.58) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL27626298 0.89 FOLH1 (0.50) ITGB1ITGA4FOLH1MMEACE
SCHEMBL19459338 0.87 LMNA (0.58) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL19459336 0.87 LMNA (0.58) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL14864541 0.86 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL6776523 0.84 TACR1 (0.51) TACR1
SCHEMBL6776526 0.84 TACR1 (0.51) TACR1
Acetyl Tyrosine SCHEMBL29052106 0.84 FOLH1 (0.62) LMNAITGB3ITGA2BFOLH1MME
SCHEMBL3939427 0.83 LMNA (0.61) LMNAITGB3ITGA2BITGB1ITGA4
SCHEMBL11122115 0.83 LMNA (0.61) LMNAITGB3ITGA2BITGB1ITGA4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 EP disclosed
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 US disclosed
US-5969179-A Method for preparing enantiomeric forms of amino alkylaminophenyl propanoic acid RHONE-POULENC RORER S.A. (FR) 1999-10-19 US disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 EP disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 WO disclosed