SCHEMBL3964848

SCHEMBL3964848

CCCc1cccc(OCC(CCC)CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ PPARA Q07869 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ BCHE P06276 4/20 0.42
▸ CYSLTR2 Q9NS75 2/20 0.41
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ FDFT1 P37268 1/20 0.39
▸ ALOX5 P09917 1/20 0.39

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
SCHEMBL4568761 0.91 PPARA (0.51) CYP4F2CYP4A11PPARAPPARGBCHE
SCHEMBL4568906 0.89 MAPK1 (0.50) BCHECYSLTR2CYSLTR1TSHRMAPK1
SCHEMBL2208855 0.87 TAAR1 (0.45) PPARAPPARGBCHETAAR1
SCHEMBL2205362 0.86 MAOB (0.48) BCHECYSLTR2CYSLTR1TAAR1TSHR
SCHEMBL20318730 0.85 PPARA (0.49) PPARAPPARGBCHE
SCHEMBL13881720 0.84 CHRM2 (0.48) PPARAPPARGBCHECHRM2CHRM1
SCHEMBL25818121 0.83 BCHE (0.43) PPARAPPARGBCHE
SCHEMBL327462 0.83 PPARA (0.46) CYP4F2CYP4A11PPARAPPARGCHRM2
SCHEMBL25819160 0.83 NOS1 (0.47) BCHE
SCHEMBL18539787 0.82 CYSLTR2 (0.43) CYSLTR2CYSLTR1TAAR1

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
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 — — EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 — — WO disclosed
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