SCHEMBL14397192

SCHEMBL14397192

C=C(C)C(=C)Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CAMK2A Q9UQM7 1/20 0.46
ESR1 P03372 4/20 0.44
ESR2 Q92731 2/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
ABAT P80404 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A2 P23975 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
Anolignan B SCHEMBL23268876 0.85 CA2 (0.54) CA2CAMK2AESR1ESR2FNTA
SCHEMBL13461368 0.83 CA2 (0.54) CA2CAMK2AESR1ESR2FNTA
SCHEMBL14397031 0.82 CTBP2 (0.41) ALDH1A1TAAR1
SCHEMBL465583 0.81 CA2 (0.50) CA2CAMK2AESR1ESR2FNTA
SCHEMBL14530762 0.80 CYP3A4 (0.35)
SCHEMBL13176927 0.79 CA2 (0.54) CA2CAMK2AESR1ESR2FNTA
SCHEMBL13461367 0.79 CES1 (0.46) FNTAFNTBALDH1A1
SCHEMBL83884 0.76 CA2 (0.61) CA2CAMK2AESR1ESR2FNTA
SCHEMBL6522029 0.75 CA2 (0.54) CA2CAMK2AESR1ESR2FNTA
SCHEMBL3873211 0.74 CA2 (0.63) CA2CAMK2AESR1ESR2FNTA

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
WO-2007112855-A1 SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (NL) 2007-10-11 WO disclosed