SCHEMBL1985774

SCHEMBL1985774

CCCCCCCCSCc1ccc(C)c(O)c1CSCCCCCCCC

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
SCHEMBL30128148 1.00 TYR (0.40) TYRESR1ESR2MAPTTP53
SCHEMBL28069446 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106189039-B block copolymer composition 奇美实业股份有限公司 2018-12-21 CN disclosed
EP-2337802-A1 FUNCTIONALIZED DIENE RUBBERS LANXESS Deutschland GmbH (DE) 2011-06-29 EP disclosed
WO-2010043664-A1 FUNCTIONALIZED DIENE RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2010-04-22 WO disclosed