SCHEMBL28366270

SCHEMBL28366270

CCCCCCCCc1c(C(C)(C)C)ccc(CCCC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.55
ALOX5 P09917 6/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGS2 P35354 5/20 0.42
ELANE P08246 2/20 0.40
CTSG P08311 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
ESR1 P03372 2/20 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
SCHEMBL28615678 0.97 TYR (0.54) TYRALOX5TP53CYP3A4MEN1
SCHEMBL28411368 0.87 TYR (0.45) TYRALOX5TP53CYP3A4PTGS2
SCHEMBL11649831 0.86 TYR (0.66) TYRALOX5TP53CYP3A4MEN1
SCHEMBL28370319 0.83 TYR (0.66) TYRALOX5TP53CYP3A4MEN1
SCHEMBL11856967 0.83 TYR (0.57) TYRALOX5TP53CYP3A4MEN1
SCHEMBL21224708 0.82 TYR (0.44) TYRALOX5TP53CYP3A4MEN1
SCHEMBL28356330 0.82 TYR (0.56) TYRALOX5TP53CYP3A4MEN1
SCHEMBL11513062 0.81 TYR (0.68) TYRALOX5TP53CYP3A4MEN1
SCHEMBL11512804 0.81 TYR (0.68) TYRALOX5TP53CYP3A4MEN1
SCHEMBL26109081 0.81 TYR (0.47) TYRALOX5TP53CYP3A4MEN1

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-110831923-A Polymer compositions stabilized with organic polysulfides 阿科玛股份有限公司 2020-02-21 CN disclosed