SCHEMBL28015477

SCHEMBL28015477

CCCCc1ccc(O)c(CCCC)c1CCCC.[W]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.53
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL167918 0.98 TYR (0.55) TYRHPGDHTTNPC1MAPK1
Ammonia Solution, Strong SCHEMBL28109005 0.96 TYR (0.53) TYRHPGDHTTNPC1MAPK1
SCHEMBL31453878 0.96 TYR (0.53) TYRHPGDHTTNPC1MAPK1
Ammonia Solution, Strong SCHEMBL2922572 0.96 TYR (0.53) TYRHPGDHTTNPC1MAPK1
SCHEMBL11417544 0.96 TYR (0.53) TYRHPGDHTTNPC1MAPK1
SCHEMBL981919 0.94 TYR (0.61) TYRHPGDHTTNPC1MAPK1
SCHEMBL982247 0.94 TYR (0.52) TYRHPGDHTTNPC1MAPK1
SCHEMBL981804 0.94 TYR (0.61) TYRHPGDHTTNPC1MAPK1
SCHEMBL981380 0.92 TYR (0.64) TYRHPGDHTTNPC1MAPK1
SCHEMBL984794 0.92 TYR (0.64) TYRHPGDHTTNPC1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104558326-B A kind of fire retardant, preparation method and modified Polydicyclopentadiencomposite composite material, preparation method 张玉清 2017-01-04 CN disclosed
CN-104558326-A Flame retardant, preparation method, flame retardant modified polydicyclopentadiene composite and preparation method ZHANG YUQING 2015-04-29 CN disclosed