SCHEMBL13632805

SCHEMBL13632805

C/C=C1/OC(=O)c2ccc(Oc3c(F)cc(CN(CCC(C)C)C(=O)OCCCC)cc3F)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 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
SCHEMBL13632815 0.91 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL14252003 0.84 LPAR1 (0.35) LPAR1LPAR5
SCHEMBL13632873 0.79 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL13632839 0.77 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL13633126 0.76 MEN1 (0.31)
SCHEMBL14252000 0.75 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL4366116 0.71 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL13638403 0.71 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL14217477 0.70 AKR1C3 (0.42) LPAR1LPAR5
SCHEMBL13638283 0.70 FAAH (0.39) LPAR1LPAR5

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
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed