SCHEMBL20195256

SCHEMBL20195256

CCOC(=O)CCCC1CC1CCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
ALOX5 P09917 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL642197 0.84 ALOX5 (0.54) NPC1ALOX5PPARGPPARAMAOB
SCHEMBL1205512 0.82 CYP4F2 (0.52) NPC1ALOX5PPARGPPARAMAOB
SCHEMBL901475 0.81 CYP4F2 (0.55) NPC1ALOX5PPARGPPARAMAOB
SCHEMBL23940698 0.77 TAAR1 (0.47) MAOB
SCHEMBL11066194 0.74 NPC1 (0.46) NPC1ALOX5PPARGPPARAMAOB
SCHEMBL2485584 0.72 MAOB (0.58) NPC1L3MBTL1MAOBLMNAGLA
SCHEMBL15926259 0.72 CYP1A2 (0.48) ALOX5L3MBTL1
SCHEMBL17429242 0.72 CA1 (0.62) L3MBTL1LMNAGLAMEN1KMT2A
SCHEMBL17431555 0.72 CA1 (0.62) L3MBTL1LMNAGLAMEN1KMT2A
SCHEMBL9278298 0.72 PPARA (0.49) NPC1PPARGPPARAMAOBCYP4F2

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-2729447-B1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H LUNDBECK AS (DK) 2018-05-30 EP disclosed