SCHEMBL8946199

SCHEMBL8946199

CCCC(C)(C)[Si](C)(C)Oc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
LTA4H P09960 1/20 0.37
ELANE P08246 2/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PTGER4 P35408 1/20 0.32
PREP P48147 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
THRB P10828 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL318210 0.81 PPARA (0.47) PPARAPPARGLTA4HELANEPTGER4
SCHEMBL16061102 0.80 LTA4H (0.35) PPARALTA4HPREP
SCHEMBL16301942 0.73 LTA4H (0.48) PPARAPPARGLTA4HELANEPTGER4
SCHEMBL7897758 0.71 ALDH1A1 (0.38) PPARALTA4HPREP
SCHEMBL9813447 0.69 PPARA (0.38) PPARAESR1ESR2
SCHEMBL12426281 0.68 PREP (0.46) PREP
SCHEMBL2882151 0.68 PPARA (0.50) PPARAPREP
SCHEMBL14764352 0.68 CA12 (0.52) PPARAPPARGPREP
SCHEMBL14384880 0.67 PREP (0.45) ELANEPREP
SCHEMBL15596696 0.67 HRH3 (0.43) PPARAPPARGLTA4H

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-5561119-A ANTITUMOR AGENTS LABORATOIRES HOECHST (FR) 1996-10-01 US disclosed