SCHEMBL13399409

SCHEMBL13399409

O=C(O)CC[C@H](O)/C=C/C=C/[C@H](O)Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FOLH1 Q04609 6/20 0.44
MME P08473 1/20 0.43
HTT P42858 1/20 0.42
TBXA2R P21731 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
FPR2 P25090 1/20 0.41
CPA3 P15088 1/20 0.41
NAALAD2 Q9Y3Q0 2/20 0.40
CPA1 P15085 1/20 0.39

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
Hydrochloric Acid SCHEMBL1401243 0.81 FFAR1 (0.42) FFAR1FOLH1MMEHTTTBXA2R
Hydrochloric Acid SCHEMBL1401248 0.81 FFAR1 (0.42) FFAR1FOLH1MMEHTTTBXA2R
SCHEMBL12226221 0.81 NPSR1 (0.42)
SCHEMBL15576913 0.79 FOLH1 (0.39) FFAR1FOLH1MMETBXA2RPTGER4
SCHEMBL288670 0.74 FFAR1 (0.50) FFAR1FOLH1MMEHTTCPA3
SCHEMBL3251742 0.74 FFAR1 (0.50) FFAR1FOLH1MMEHTTCPA3
SCHEMBL12226226 0.71 TRPA1 (0.46) FFAR1MMETBXA2RPTGER4PTGER3
SCHEMBL11936645 0.71 FOLH1 (0.78) FOLH1NAALAD2
SCHEMBL4138612 0.71 FOLH1 (0.78) FOLH1NAALAD2
SCHEMBL193318 0.70 FFAR1 (0.79) FFAR1HTT

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-2010039531-A1 THERAPEUTIC COMPOUNDS RESOLVYX PHARMACEUTICALS, INC. (US) 2010-04-08 WO disclosed