SCHEMBL12465889

SCHEMBL12465889

Cc1noc(-c2ccc(NS(C)(=O)=O)cc2)c1NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
LPAR1 Q92633 4/20 0.46
LPAR3 Q9UBY5 2/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
PIP4K2A P48426 2/20 0.41
PIP4K2B P78356 2/20 0.41
KIF11 P52732 1/20 0.41
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
ABCB4 P21439 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
KEAP1 Q14145 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
SCHEMBL12465689 0.87 MAPT (0.51) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12466034 0.85 MAPT (0.55) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465700 0.84 MAPT (0.48) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL25401241 0.83 MAPT (0.57) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465976 0.83 MAPT (0.52) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465702 0.83 MAPT (0.44) MAPTKDM4ELPAR1LPAR3BRD4
SCHEMBL12465722 0.82 MAPT (0.60) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465732 0.82 MAPT (0.50) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL4037272 0.82 MAPT (0.54) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465914 0.81 MAPT (0.46) MAPTKDM4ELPAR1LPAR3CYP2C9

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
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO claimed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO disclosed