SCHEMBL9313708

SCHEMBL9313708

COC(=O)C(C)Oc1cccc2c(Oc3ccc(C(F)(F)F)cc3F)cccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.43
PLAU P00749 1/20 0.43
SCN8A Q9UQD0 7/20 0.41
SCN10A Q9Y5Y9 7/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL9854882 1.00 F9 (0.43) F9PLAUSCN8ASCN10APTGDR2
SCHEMBL9854821 0.96 F9 (0.40) F9PLAUSCN8ASCN10APTGDR2
SCHEMBL9854817 0.90 PTGDR2 (0.39) SCN8ASCN10APTGDR2CARM1PRMT6
SCHEMBL9617276 0.89 PTGDR2 (0.51) SCN8ASCN10APTGDR2CARM1PRMT6
SCHEMBL9315073 0.89 PTGDR2 (0.51) SCN8ASCN10APTGDR2CARM1PRMT6
SCHEMBL9644424 0.88 MRGPRX4 (0.45) F9PLAU
SCHEMBL9313717 0.88 PTGDR2 (0.41) SCN8ASCN10APTGDR2CARM1PRMT6
SCHEMBL9572361 0.84 MAPT (0.49) SCN8ASCN10APTGDR2NPSR1BRAF
SCHEMBL9572370 0.84 MAPT (0.49) SCN8ASCN10APTGDR2NPSR1BRAF
SCHEMBL9571177 0.84 HPGD (0.46) F9PLAU

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
US-5300676-A Herbicidal fluorine-substituted alpha-(5-aryloxynaphthalen-1-yl-oxy)-propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0453842-A2 Fluor subsituted derivatives of alpha-(5-aryloxy-naphthalen-1-yloxy)propionic acid BAYER AG (DE) 1991-10-30 EP disclosed