SCHEMBL3714006

SCHEMBL3714006

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Cc2cc(CC(=O)O)ccc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
PTGDR2 Q9Y5Y4 6/20 0.34
SLC26A6 Q9BXS9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
PPARD Q03181 2/20 0.32
FFAR1 O14842 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32

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
SCHEMBL3708489 0.93 TP53 (0.35) LPAR1KDM4ETP53USP2POLB
SCHEMBL3712524 0.92 LPAR1 (0.42) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3713385 0.91 PLA2G10 (0.38) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL2335539 0.90 LPAR1 (0.45) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3709661 0.86 LPAR1 (0.41) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3702315 0.86 LPAR1 (0.40) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3715778 0.85 KDM4E (0.38) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3712290 0.85 NR3C1 (0.38) LPAR1KDM4ETP53PTGDR2MAPT
SCHEMBL2333912 0.84 DGAT1 (0.41) LPAR1KDM4ELPAR2LPAR3TP53
SCHEMBL3706560 0.84 KDM4E (0.36) LPAR1KDM4ELPAR2LPAR3TP53

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