SCHEMBL9998264

SCHEMBL9998264

CCOC(=O)N(c1ccccc1)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.48
LPAR2 Q9HBW0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
LMNA P02545 2/20 0.40
ABCC4 O15439 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
ENPP2 Q13822 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
DGAT1 O75907 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER4 P35408 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
SCHEMBL1286656 0.99 LPAR1 (0.48) LPAR1LPAR2LPAR3LMNAABCC4
SCHEMBL2335059 0.92 LPAR1 (0.41) LPAR1LPAR2LPAR3LMNAGAA
SCHEMBL2225515 0.91 LPAR1 (0.41) LPAR1LPAR2LPAR3LMNATSHR
SCHEMBL3714448 0.90 LPAR1 (0.41) LPAR1LPAR2LPAR3ENPP2MAPT
SCHEMBL3707724 0.90 LPAR1 (0.43) LPAR1LPAR2LPAR3LMNAABCC4
SCHEMBL2341767 0.89 LPAR1 (0.44) LPAR1LPAR2LPAR3LMNAABCC4
SCHEMBL2338529 0.89 LPAR1 (0.44) LPAR1LPAR2LPAR3LMNAABCC4
SCHEMBL2337674 0.88 LPAR1 (0.46) LPAR1LPAR2LPAR3LMNAABCC4
SCHEMBL2335503 0.87 LPAR1 (0.44) LPAR1LPAR2LPAR3LMNAABCC4
SCHEMBL2341431 0.86 IP6K1 (0.40) GAAMAPTTP53ALDH1A1CYP1A2

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-2011159550-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND USES THEREOF AMIDRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed