SCHEMBL9314066

SCHEMBL9314066

N#Cc1cc(C(F)(F)F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ TRPV4 Q9HBA0 3/20 0.41
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ AR P10275 8/20 0.37
▸ KIF11 P52732 3/20 0.35
▸ CES2 O00748 1/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ PGR P06401 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
SCHEMBL19903462 0.85 CYP11B1 (0.48) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL463526 0.80 ALOX5AP (0.40) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL27614015 0.80 CYP11B1 (0.40) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL18245321 0.80 CYP11B1 (0.40) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL9465161 0.80 AR (0.42) CYP11B1CYP11B2TRPV4AR
SCHEMBL31435045 0.80 CYP11B1 (0.36) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL31195171 0.80 AR (0.42) CYP11B1CYP11B2TRPV4AR
SCHEMBL9465482 0.80 CYP11B1 (0.36) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL22822434 0.79 RXRA (0.47) CYP11B1CYP11B2TRPV4ALOX5APFEN1
SCHEMBL24743943 0.79 AR (0.38) CYP11B1CYP11B2TRPV4AR

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 3 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
US-5196593-A HALOGENATED TRIFLUOROMETHYLBENZENES OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 — — 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
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