SCHEMBL12468286

SCHEMBL12468286

Cc1noc(-c2ccc(NC(=O)C3CC3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
SCN9A Q15858 2/20 0.42
SCN5A Q14524 1/20 0.42
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 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
RAB9A P51151 2/20 0.39
ENPP2 Q13822 1/20 0.39
GABRA5 P31644 1/20 0.39
IP6K1 Q92551 1/20 0.38

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
SCHEMBL25402681 0.86 MAPT (0.45) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3712506 0.85 LPAR1 (0.46) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL25403585 0.85 MAPT (0.42) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL2332531 0.85 LPAR1 (0.52) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL12466213 0.85 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL12466003 0.84 MAPT (0.48) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3714441 0.84 LPAR1 (0.54) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3712822 0.84 LPAR1 (0.43) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL25236847 0.83 LPAR1 (0.49) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3706535 0.83 LPAR1 (0.53) 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