SCHEMBL2747735

SCHEMBL2747735

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.65
GPR34 Q9UPC5 8/20 0.64
MME P08473 1/20 0.61
ACE P12821 1/20 0.61
CPA1 P15085 1/20 0.61
ACE2 Q9BYF1 1/20 0.61
GPR132 Q9UNW8 1/20 0.61
ITGB3 P05106 5/20 0.60
ITGA2B P08514 5/20 0.60
PPARA Q07869 1/20 0.59

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
SCHEMBL1833280 0.89 MME (0.56) MMEACECPA1ACE2GPR132
SCHEMBL5259390 0.89 MME (0.56) MMEACECPA1ACE2GPR132
SCHEMBL2747164 0.89 KDM4A (0.57) PPARGGPR34MMEACECPA1
SCHEMBL9161282 0.88 ITGB3 (0.75) PPARGGPR34MMEACECPA1
SCHEMBL5396458 0.88 ITGB3 (0.71) PPARGGPR34MMEACECPA1
SCHEMBL16541078 0.88 PPARG (0.70) PPARGGPR34MMEACECPA1
SCHEMBL753187 0.88 PPARG (0.70) PPARGGPR34MMEACECPA1
SCHEMBL19170415 0.88 ITGB3 (0.71) PPARGGPR34MMEACECPA1
SCHEMBL1023326 0.88 ITGB3 (0.75) PPARGGPR34MMEACECPA1
SCHEMBL27703721 0.88 ITGB3 (0.75) PPARGGPR34MMEACECPA1

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
US-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed