SCHEMBL5312465

SCHEMBL5312465

COC(=O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
UTS2R Q9UKP6 10/20 0.50
CYP3A4 P08684 2/20 0.50
ROCK1 Q13464 5/20 0.49
ROCK2 O75116 4/20 0.49
RPS6KA5 O75582 3/20 0.49
AKT1 P31749 3/20 0.49
GSK3B P49841 3/20 0.49
NEK4 P51957 3/20 0.49
PRKCD Q05655 3/20 0.49
PRKG2 Q13237 3/20 0.49
PRKG1 Q13976 3/20 0.49
PKN2 Q16513 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
MAPK13 O15264 2/20 0.49
MAP4K4 O95819 2/20 0.49
PRKCG P05129 2/20 0.49
CDK1 P06493 2/20 0.49

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
SCHEMBL7994713 0.93 MEN1 (0.58) MEN1POLBKMT2AUTS2RCYP3A4
SCHEMBL5926424 0.91 UTS2R (0.49) MEN1POLBKMT2AUTS2RCYP3A4
SCHEMBL5927020 0.90 THRB (0.49) MEN1POLBKMT2AUTS2RCYP3A4
SCHEMBL5926341 0.90 THRB (0.49) MEN1POLBKMT2AUTS2RCYP3A4
SCHEMBL3991800 0.88 CTSA (0.56) UTS2RCYP3A4ROCK1ROCK2RPS6KA5
SCHEMBL5926607 0.87 CYP3A4 (0.47) CYP3A4ALDH1A1
SCHEMBL5926414 0.86 TACR3 (0.50) MEN1POLBKMT2AROCK1ROCK2
SCHEMBL5926555 0.84 MAPK14 (0.52) UTS2RCYP3A4ROCK1ROCK2RPS6KA5
SCHEMBL4824256 0.82 TRPM8 (0.45) MEN1KMT2AUTS2RMAP4K4MINK1
SCHEMBL5926625 0.82 MAPK14 (0.55) MEN1KMT2AUTS2RROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044574-A2 PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION THEREOF, AND METHODS OF TREATMENT TRANSTECH PHARMA, INC. (US) 2007-04-19 WO claimed
US-20070082952-A1 Pharmaceutical compositions, methods of preparation thereof, and methods of treatment TRANSTECH PHARMA, INC. 2007-04-12 US claimed
US-20070185204-A1 Crystalline forms of 3-biphenyl-4-yl-(2S)-[(4'-trifluoromethyl-biphenyl-4-carbonyl)-amino]-propionic acid, and methods of use TRANSTECH PHARMA, INC. 2007-08-09 US disclosed
WO-2007087148-A1 CRYSTALLINE FORMS OF 3-BIPHENYL-4-YL-(2S)-[(4'-TRIFLUOROMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-PROPIONIC ACID, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2007-08-02 WO disclosed
WO-2007044574-A2 PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION THEREOF, AND METHODS OF TREATMENT TRANSTECH PHARMA, INC. (US) 2007-04-19 WO disclosed
US-20070082952-A1 Pharmaceutical compositions, methods of preparation thereof, and methods of treatment TRANSTECH PHARMA, INC. 2007-04-12 US disclosed