SCHEMBL21935251

SCHEMBL21935251

Fc1cc(OC(F)F)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(OC(F)F)cc4F)s3)c3nsnc23)s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ STS P08842 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ PTGES O14684 1/20 0.30

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
SCHEMBL20806065 0.83 CYP1A1 (0.41) ESR1ESR2
SCHEMBL20806198 0.81 ESR1 (0.37) ESR1ESR2STSHSD17B1HSD17B2
SCHEMBL16265236 0.80 ESR1 (0.38) ESR1ESR2
SCHEMBL26500096 0.77 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2
SCHEMBL16265225 0.76 ESR1 (0.33) ESR1ESR2ALOX5APFEN1
SCHEMBL19369162 0.75 ESR2 (0.46) ESR1ESR2HSD17B1HSD17B2
SCHEMBL19682268 0.75 APP (0.41) ESR1ESR2
SCHEMBL16265326 0.74 AHR (0.38) —
SCHEMBL20806237 0.74 ESR2 (0.45) ESR1ESR2HSD17B1HSD17B2
SCHEMBL20806196 0.73 ESR1 (0.31) ESR1ESR2

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-3400270-B1 DEVICE FOR REGULATING ENTRY OF LIGHT MERCK PATENT GMBH (DE) 2020-04-29 — — EP disclosed
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