SCHEMBL9970220

SCHEMBL9970220

Cc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ FEN1 P39748 10/20 0.34
▸ ALOX5AP P20292 9/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL23346052 0.88 ALOX5AP (0.33) FEN1ALOX5AP
SCHEMBL22872108 0.82 PDE3B (0.31) FEN1ALOX5AP
SCHEMBL19754822 0.81 ESR2 (0.38) FEN1ALOX5AP
SCHEMBL172422 0.81 ESR2 (0.38) FEN1ALOX5AP
SCHEMBL12437063 0.81 ESR2 (0.38) FEN1ALOX5AP
SCHEMBL12719836 0.78 ESR2 (0.43) FEN1ALOX5AP
SCHEMBL20067758 0.78 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15834707 0.77 ESR2 (0.33) FEN1ALOX5AP
SCHEMBL16922998 0.77 ESR2 (0.33) FEN1ALOX5AP
SCHEMBL10035141 0.77 ESR2 (0.33) FEN1ALOX5AP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239310-B1 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2012-06-27 — — EP disclosed
US-8202584-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2012-06-19 — — US disclosed
EP-2239310-A1 Liquid crystal medium and liquid crystal display Merck Patent GmbH (DE) 2010-10-13 — — EP disclosed
US-20100252777-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-10-07 — — US disclosed
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