SCHEMBL3706560

SCHEMBL3706560

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Sc2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LPAR1 Q92633 2/20 0.34
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
PPARD Q03181 3/20 0.32
TP53 P04637 1/20 0.32
DGAT1 O75907 1/20 0.32
FFAR1 O14842 2/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
MAPT P10636 4/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
CYP26A1 O43174 1/20 0.30

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
SCHEMBL3701871 0.94 KDM4E (0.34) KDM4EUSP2POLBTP53MAPT
SCHEMBL3702315 0.93 LPAR1 (0.40) KDM4ELPAR1USP2POLBLPAR2
SCHEMBL3713385 0.88 PLA2G10 (0.38) KDM4ELPAR1USP2POLBLPAR2
SCHEMBL3703222 0.88 LPAR1 (0.35) KDM4ELPAR1USP2POLBLPAR2
SCHEMBL1247289 0.87 KDM4E (0.39) KDM4EPPARDTP53L3MBTL1
SCHEMBL3704746 0.87 MMP2 (0.44) KDM4ELPAR1USP2POLBTP53
SCHEMBL2335539 0.86 LPAR1 (0.45) KDM4ELPAR1USP2POLBLPAR2
SCHEMBL3712290 0.86 NR3C1 (0.38) KDM4ELPAR1TP53FFAR1MAPT
SCHEMBL3703091 0.86 KDM4E (0.36) KDM4ELPAR1USP2POLBLPAR2
SCHEMBL3712524 0.85 LPAR1 (0.42) KDM4ELPAR1USP2POLBLPAR2

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