SCHEMBL3713385

SCHEMBL3713385

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Cc2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
LPAR1 Q92633 2/20 0.38
KDM4E B2RXH2 1/20 0.37
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
PPARD Q03181 2/20 0.33
TP53 P04637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
DGAT1 O75907 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL3712524 0.94 LPAR1 (0.42) LPAR1KDM4EIP6K1IP6K3IP6K2
SCHEMBL3705145 0.92 TLR7 (0.35) LPAR1KDM4EIP6K1IP6K3IP6K2
SCHEMBL3714006 0.91 LPAR1 (0.37) LPAR1KDM4EIP6K1IP6K3IP6K2
SCHEMBL2335539 0.90 LPAR1 (0.45) LPAR1KDM4ELPAR2LPAR3USP2
SCHEMBL3711134 0.90 LPAR1 (0.42) PLA2G10PLA2G2ALPAR1IP6K1IP6K3
SCHEMBL3712290 0.89 NR3C1 (0.38) LPAR1KDM4EIP6K1IP6K3IP6K2
SCHEMBL3706560 0.88 KDM4E (0.36) LPAR1KDM4ELPAR2LPAR3USP2
SCHEMBL3709661 0.87 LPAR1 (0.41) LPAR1KDM4ELPAR2LPAR3USP2
SCHEMBL3715778 0.87 KDM4E (0.38) LPAR1KDM4EIP6K1IP6K3IP6K2
SCHEMBL3702315 0.86 LPAR1 (0.40) LPAR1KDM4ELPAR2LPAR3USP2

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