SCHEMBL28069446

SCHEMBL28069446

CCCCCCCCCCCCSCc1ccc(C)c(O)c1CSCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
CES2 O00748 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1985774 1.00 TYR (0.40) TYRESR1ESR2MAPTTP53
SCHEMBL30128148 1.00 TYR (0.40) TYRESR1ESR2MAPTTP53
SCHEMBL38662124 0.83 TYR (0.51) TYRESR1ESR2MAPTTP53
SCHEMBL16634871 0.83 TYR (0.51) TYRESR1ESR2MAPTTP53
SCHEMBL812535 0.83 TYR (0.51) TYRESR1ESR2MAPTTP53
SCHEMBL9576130 0.81 TYR (0.39) TYRESR1ESR2MAPTTP53
SCHEMBL6699498 0.81 TYR (0.39) TYRESR1ESR2MAPTTP53
SCHEMBL2554415 0.80 EGFR (0.40) TYRESR1ESR2MAPTMEN1
SCHEMBL30865024 0.80 EGFR (0.40) TYRESR1ESR2MAPTMEN1
SCHEMBL227298 0.80 EGFR (0.40) TYRESR1ESR2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105647627-A Gasoline engine oil with long service life and multiple anti-wear protection means and preparation method of gasoline engine oil 北京雅士科莱恩石油化工有限公司 2016-06-08 CN claimed
CN-109440219-A Regenerated Polyester Fibres and preparation method thereof containing metal-modified cross carboxylate 上海德福伦化纤有限公司 2019-03-08 CN disclosed
CN-107112395-B Device used for image display module and image display device 大日本印刷株式会社 2019-01-15 CN disclosed
CN-104066547-B Method for producing elastic grinding material, elastic grinding material, and blasting method using said elastic grinding material 株式会社不二制作所 2017-02-22 CN disclosed
CN-105957621-A Petroleum and natural gas downhole instrument multifunctional cable and manufacturing method thereof 扬州市永诚电器线缆有限公司 2016-09-21 CN disclosed
CN-105647627-A Gasoline engine oil with long service life and multiple anti-wear protection means and preparation method of gasoline engine oil 北京雅士科莱恩石油化工有限公司 2016-06-08 CN disclosed