SCHEMBL27706202

SCHEMBL27706202

CC(CNC(=O)c1ccc(Br)s1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ESR1 P03372 1/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
DAO P14920 1/20 0.47
ACKR3 P25106 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL27691759 0.82 MAPK1 (0.55) NPSR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL28770175 0.79 GAA (0.51) GAANPSR1RXFP1KDM4EESR1
SCHEMBL26970100 0.79 NPSR1 (0.58) GAANPSR1RXFP1KDM4EESR1
SCHEMBL16315254 0.77 GAA (0.69) GAANPSR1RXFP1KDM4EESR1
SCHEMBL25210194 0.76 GAA (0.58) GAANPSR1RXFP1KDM4EESR1
SCHEMBL25266463 0.76 GAA (0.58) GAANPSR1RXFP1KDM4EESR1
SCHEMBL14986443 0.76 GAA (0.67) GAANPSR1RXFP1KDM4EESR1
SCHEMBL6362085 0.74 GAA (0.75) GAANPSR1RXFP1KDM4EESR1
SCHEMBL27263380 0.74 GAA (0.75) GAANPSR1RXFP1KDM4EESR1
SCHEMBL13753379 0.74 ALDH1A1 (0.63) GAANPSR1RXFP1KDM4EESR1

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
CN-101213195-B Substituted glycinamides with antithrombotic and factor XA-inhibiting action BOEHRINGER INGELHEIM INT 2012-05-09 CN disclosed
CN-101213195-A Substituted glycinamides having an antithrombotic and factor xa-inhibiting effect BOEHRINGER INGELHEIM INT (DE) 2008-07-02 CN disclosed