SCHEMBL5488523

SCHEMBL5488523

CCCCCc1ccc(O)c(C)c1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.73
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX5 P09917 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44

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
SCHEMBL27475908 0.98 TYR (0.77) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL9244588 0.98 TYR (0.77) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL27730242 0.98 TYR (0.77) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL5886405 0.94 TYR (0.65) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL5678186 0.86 TYR (0.71) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL984391 0.86 TYR (0.71) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL21439892 0.85 TYR (0.53) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL983968 0.85 TYR (0.74) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL11698312 0.85 TYR (0.74) TYRTP53CYP3A4ALOX5MEN1
SCHEMBL983952 0.85 TYR (0.74) TYRTP53CYP3A4ALOX5MEN1

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
US-20070123571-A1 Use of a compound in the treatment of sleep disorders BOOTS HEALTHCARE INTERNATIONAL LIMITED (GB) 2007-05-31 US disclosed