SCHEMBL3702210

SCHEMBL3702210

Cc1cccc(COC(=O)Nc2c(C)noc2-c2c(C(=O)O)cccc2-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.43
LPAR3 Q9UBY5 2/20 0.43
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3700989 0.81 LPAR1 (0.46) LPAR1LPAR3MAPTKDM4ECYP2C9
SCHEMBL3702854 0.78 LPAR1 (0.47) LPAR1LPAR3MAPTKDM4ESCN5A
SCHEMBL4029141 0.72 LPAR1 (0.62) LPAR1LPAR3MAPTKDM4ECYP2C9
SCHEMBL1247389 0.70 SCN9A (0.45) MAPTKDM4ESCN5ASCN9ATSHR
SCHEMBL2336119 0.69 LPAR1 (0.49) LPAR1LPAR3MAPTKDM4ESCN5A
SCHEMBL3711311 0.68 LPAR1 (0.43) LPAR1LPAR3MAPTKDM4ESCN5A
SCHEMBL343051 0.66 LPAR1 (0.56) LPAR1LPAR3MAPTKDM4ECYP2C9
SCHEMBL30472637 0.65 SMN1; SMN2 (0.49) LPAR1LPAR3KDM4ECYP2C9CYP1A2
SCHEMBL3706444 0.65 LPAR1 (0.46) LPAR1LPAR3MAPTKDM4ECYP2C9
SCHEMBL4035675 0.63 MAPT (0.67) LPAR1LPAR3MAPTKDM4ECYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed