SCHEMBL1912635

SCHEMBL1912635

O=C(O)CNC(=O)C[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.53
FOLH1 Q04609 2/20 0.52
CPA1 P15085 2/20 0.51
CPB1 P15086 1/20 0.51
CPA3 P15088 1/20 0.51
CPB2 Q96IY4 1/20 0.51
ALDH1A1 P00352 2/20 0.47
ACE P12821 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AOC3 Q16853 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
ECE1 P42892 1/20 0.47
BLM P54132 1/20 0.47
NPEPPS P55786 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL1912637 1.00 MME (0.53) MMEFOLH1CPA1CPB1CPA3
SCHEMBL2807018 0.87 MME (0.67) MMECPA1CPB1CPA3CPB2
SCHEMBL30543817 0.77 CYP1A2 (0.56) MMEFOLH1CPA1CPB1CPA3
SCHEMBL2804430 0.73 CPA1 (0.63) MMECPA1CPB1CPA3CPB2
SCHEMBL6841478 0.73 CYP1A2 (0.51) MMEFOLH1CPA1CPA3ACE
SCHEMBL5870627 0.73 CYP1A2 (0.51) MMEFOLH1CPA1CPA3ACE
SCHEMBL9456007 0.73 GRIA2 (0.57) MMECPA1ACEKMT2AAOC3
SCHEMBL6684906 0.73 FOLH1 (0.54) MMEFOLH1CPA1CPA3ACE
SCHEMBL5096045 0.72 PTGS2 (0.51) MMEFOLH1CPA1CPB1CPA3
SCHEMBL9554490 0.72 CPA1 (0.60) MMEFOLH1CPA1CPB1CPA3

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-2435409-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
WO-2010136493-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed