SCHEMBL8573285

SCHEMBL8573285

CCCCc1cc(SC[Si](C)(C)c2ccccc2)cc(CCCC)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.36
TLR8 Q9NR97 1/20 0.34
MAOA P21397 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
EYA3 Q99504 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGFR P00533 1/20 0.32
ALOX5 P09917 2/20 0.32
PTGS2 P35354 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL8573273 0.92 ALOX5 (0.35) MAOAMAPTALOX5ESR1ESR2
SCHEMBL8578127 0.86 GABRA1 (0.39) ALDH1A1MAPTESR1ESR2
SCHEMBL9195092 0.81 TYR (0.39) TYRMAOAALDH1A1GAAKDM4E
SCHEMBL8579130 0.81 EGFR (0.40) TYRMAOAALDH1A1GAAKDM4E
SCHEMBL7515172 0.79 TYR (0.40) TYRTLR8ALDH1A1GAAKDM4E
SCHEMBL27496913 0.78 ALOX5 (0.37) ALDH1A1GAAKDM4ECYP3A4MAPT
SCHEMBL5692247 0.78 TYR (0.37) TYRTLR8MAOAALDH1A1GAA
SCHEMBL9193484 0.77 TYR (0.38) TYRMAOAALDH1A1GAAKDM4E
SCHEMBL8574791 0.77 MEN1 (0.44) ALDH1A1MAPTALOX5PTGS2ESR1
SCHEMBL9007350 0.76 ALOX5 (0.39) TYRMAOACYP3A4MAPTEGFR

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-5795876-A ANTIINFLAMMATORY AGENTS HOECHST MARION ROUSSSEL, INC. (US) 1998-08-18 US disclosed