SCHEMBL12465689

SCHEMBL12465689

CCS(=O)(=O)Nc1ccc(-c2onc(C)c2NC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 5/20 0.47
LPAR1 Q92633 4/20 0.45
LPAR3 Q9UBY5 2/20 0.45
LMNA P02545 3/20 0.44
KIF11 P52732 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 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
SCHEMBL12465732 0.87 MAPT (0.50) MAPTKDM4ELPAR1LPAR3KIF11
SCHEMBL12465889 0.87 MAPT (0.53) MAPTKDM4EHPGDLPAR1LPAR3
SCHEMBL12466034 0.83 MAPT (0.55) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465757 0.82 MAPT (0.56) MAPTKDM4EHPGDLPAR1LPAR3
SCHEMBL12465700 0.82 MAPT (0.48) MAPTKDM4ELPAR1LPAR3TSHR
SCHEMBL25401241 0.81 MAPT (0.57) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465976 0.81 MAPT (0.52) MAPTKDM4ELPAR1LPAR3TSHR
SCHEMBL12465722 0.80 MAPT (0.60) MAPTKDM4EHPGDLPAR1LPAR3
SCHEMBL4037272 0.80 MAPT (0.54) MAPTKDM4ELPAR1LPAR3LMNA
SCHEMBL12465914 0.79 MAPT (0.46) MAPTKDM4ELPAR1LPAR3TP53

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