SCHEMBL3964534

SCHEMBL3964534

CCCc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
BCHE P06276 3/20 0.50
KCNH2 Q12809 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PPARG P37231 3/20 0.49
PTGES O14684 2/20 0.49
ALOX5 P09917 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL4568874 0.90 PPARG (0.57) FFAR1BCHEPPARGPTGESALOX5
SCHEMBL13596190 0.90 LTA4H (0.53) BCHEKCNH2CYP4F2CYP4A11PPARG
SCHEMBL3026666 0.88 KDM4E (0.56) FFAR1BCHENPC1RAB9AMAOA
SCHEMBL10235885 0.88 KMT2A (0.54) FFAR1BCHEKCNH2CYP4F2CYP4A11
SCHEMBL4568905 0.88 KMT2A (0.54) FFAR1NPC1RAB9APPARGPTGES
SCHEMBL24041762 0.87 BCHE (0.50) FFAR1BCHEKCNH2MAOB
SCHEMBL14382693 0.86 CYP2D6 (0.57) KCNH2PPARGPPARA
SCHEMBL17912866 0.85 NPC1 (0.60) FFAR1NPC1RAB9AMAOAMAOB
SCHEMBL4568878 0.85 PPARA (0.58) BCHEPPARGMAOAMAOBPPARA
SCHEMBL10235877 0.85 PPARA (0.58) BCHEKCNH2PPARGPPARA

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