SCHEMBL2779520

SCHEMBL2779520

CCCNNC(Cc1ccc(CC)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
MME P08473 8/20 0.42
ACE P12821 8/20 0.42
ACE2 Q9BYF1 8/20 0.42
CPA1 P15085 7/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
FOLH1 Q04609 1/20 0.40
ITGB1 P05556 4/20 0.40
ITGA4 P13612 4/20 0.40
ITGB7 P26010 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2778117 1.00 PPARG (0.42) PPARGPPARAMMEACEACE2
Hydrochloric Acid SCHEMBL6770872 0.98 PPARG (0.41) PPARGPPARAMMEACEACE2
SCHEMBL2778931 0.89 POLB (0.52) MMEACEACE2CPA1POLB
SCHEMBL2778934 0.89 POLB (0.52) MMEACEACE2CPA1POLB
SCHEMBL2779693 0.81 ACE (0.46) PPARGPPARAMMEACEACE2
SCHEMBL2779696 0.81 ACE (0.46) PPARGPPARAMMEACEACE2
SCHEMBL28565794 0.80 MME (0.57) MMEACEACE2CPA1
SCHEMBL8525049 0.80 FOLH1 (0.49) MMEACEACE2CPA1FOLH1
SCHEMBL8027755 0.80 FOLH1 (0.49) MMEACEACE2CPA1FOLH1
Hydrochloric Acid SCHEMBL6775146 0.79 ACE (0.44) PPARGPPARAMMEACEACE2

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 5 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
CN-1152338-A Streptogramines and method for preparing same by mutasynthesis RHONE POULENC RORER SA (FR) 1997-06-18 CN 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