SCHEMBL9854817

SCHEMBL9854817

CC(C)OC(=O)[C@@H](C)Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
SCN8A Q9UQD0 6/20 0.38
SCN10A Q9Y5Y9 6/20 0.38
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BRAF P15056 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL9854821 0.91 F9 (0.40) PTGDR2SCN8ASCN10ACARM1PRMT6
SCHEMBL9854882 0.90 F9 (0.43) PTGDR2SCN8ASCN10ACARM1PRMT6
SCHEMBL9313708 0.90 F9 (0.43) PTGDR2SCN8ASCN10ACARM1PRMT6
SCHEMBL9617276 0.88 PTGDR2 (0.51) PTGDR2SCN8ASCN10ACARM1PRMT6
SCHEMBL9315073 0.88 PTGDR2 (0.51) PTGDR2SCN8ASCN10ACARM1PRMT6
SCHEMBL9313717 0.87 PTGDR2 (0.41) PTGDR2SCN8ASCN10ACARM1PRMT6
SCHEMBL9551711 0.78 PTGDR2 (0.48) PTGDR2SCN8ASCN10APDE2A
SCHEMBL9551713 0.78 PTGDR2 (0.48) PTGDR2SCN8ASCN10APDE2A
SCHEMBL9551712 0.78 PTGDR2 (0.48) PTGDR2SCN8ASCN10APDE2A
SCHEMBL9644424 0.78 MRGPRX4 (0.45)

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
EP-0453842-A2 Fluor subsituted derivatives of alpha-(5-aryloxy-naphthalen-1-yloxy)propionic acid BAYER AG (DE) 1991-10-30 EP disclosed