SCHEMBL3712290

SCHEMBL3712290

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Oc2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.38
P2RX3 P56373 3/20 0.37
SRD5A2 P31213 2/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
FFAR1 O14842 1/20 0.36
LPAR1 Q92633 1/20 0.35
MAPT P10636 1/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
FAAH O00519 1/20 0.34
CCR8 P51685 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL3709661 0.93 LPAR1 (0.41) NR3C1SRD5A2KDM4EALDH1A1HPGD
SCHEMBL3705375 0.92 TP53 (0.37) P2RX3PTGS2KDM4EALDH1A1HPGD
SCHEMBL3702549 0.90 LPAR1 (0.39) NR3C1P2RX3SRD5A2PTGS2KDM4E
SCHEMBL3713385 0.89 PLA2G10 (0.38) KDM4ETP53FFAR1LPAR1MAPT
SCHEMBL2335539 0.87 LPAR1 (0.45) KDM4ETP53LPAR1MAPT
SCHEMBL1247556 0.87 KDM4E (0.40) NR3C1SRD5A2KDM4ETP53FFAR1
SCHEMBL3706560 0.86 KDM4E (0.36) KDM4ETP53FFAR1LPAR1MAPT
SCHEMBL3702204 0.86 TP53 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3712524 0.86 LPAR1 (0.42) KDM4EALDH1A1TP53LPAR1MAPT
SCHEMBL3714006 0.85 LPAR1 (0.37) KDM4ETP53FFAR1LPAR1MAPT

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