SCHEMBL29237286

SCHEMBL29237286

CCOC(=O)CCc1cccc(C(C)Br)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 3/20 0.50
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.43
F10 P00742 2/20 0.41
F2 P00734 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL13091242 0.89 CYP4F2 (0.53) CYP4F2CYP4A11PPARGPPARATDP1
SCHEMBL30967851 0.87 CYP4F2 (0.51) CYP4F2CYP4A11PPARGPPARATDP1
SCHEMBL27629133 0.86 L3MBTL1 (0.41) CYP4F2CYP4A11PPARGPPARAF10
SCHEMBL8801806 0.85 CYP4F2 (0.49) CYP4F2CYP4A11PPARGPPARATDP1
SCHEMBL7622998 0.84 CYP4F2 (0.51) CYP4F2CYP4A11PPARGPPARATDP1
SCHEMBL4425984 0.83 CYP4F2 (0.64) CYP4F2CYP4A11PPARGPPARATDP1
SCHEMBL8906117 0.83 CYP4F2 (0.50) CYP4F2CYP4A11PPARGPPARATDP1
SCHEMBL10289795 0.83 ALOX5 (0.52) CYP4F2CYP4A11PPARGPPARAALOX5
SCHEMBL14297619 0.82 CYP4F2 (0.50) CYP4F2CYP4A11PPARGPPARAALOX5
SCHEMBL13091248 0.81 PPARA (0.52) CYP4F2CYP4A11PPARGPPARAALOX5

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
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed