SCHEMBL3708422

SCHEMBL3708422

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1cnc(-c2ccc(CC(=O)O)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33
ROCK2 O75116 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
NR1H4 Q96RI1 3/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
S1PR1 P21453 1/20 0.31
WNT3A P56704 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
SCHEMBL3708181 0.94 KDM4E (0.38) KDM4ELPAR1TP53ROCK2CA12
SCHEMBL2335539 0.87 LPAR1 (0.45) KDM4ELPAR1LPAR2LPAR3TP53
SCHEMBL1246372 0.87 KDM4E (0.41) KDM4EPPARDPPARGTP53NR1H4
SCHEMBL3709661 0.86 LPAR1 (0.41) KDM4ELPAR1LPAR2LPAR3PPARD
SCHEMBL3712524 0.86 LPAR1 (0.42) KDM4ELPAR1LPAR2LPAR3TP53
SCHEMBL3705535 0.85 LPAR1 (0.38) KDM4ELPAR1LPAR2LPAR3PPARD
SCHEMBL3707867 0.84 KDM4E (0.40) KDM4ELPAR1LPAR2LPAR3TP53
SCHEMBL3702315 0.83 LPAR1 (0.40) KDM4ELPAR1LPAR2LPAR3TP53
SCHEMBL2333912 0.82 DGAT1 (0.41) KDM4ELPAR1LPAR2LPAR3TP53
SCHEMBL2341053 0.81 LPAR1 (0.42) KDM4ELPAR1LPAR2LPAR3TP53

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