SCHEMBL12466003

SCHEMBL12466003

Cc1noc(-c2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR2 Q9HBW0 2/20 0.47
IP6K1 Q92551 1/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
RORC P51449 1/20 0.42
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.41
LMNA P02545 1/20 0.40
ACR P10323 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 1/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 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
SCHEMBL2335320 0.93 LPAR1 (0.53) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3711163 0.85 LPAR1 (0.46) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL12466213 0.85 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL2336149 0.85 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3706641 0.85 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3712572 0.84 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL12468286 0.84 MAPT (0.48) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL2332527 0.84 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL2332531 0.84 LPAR1 (0.52) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL2336119 0.83 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2

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