SCHEMBL8913600

SCHEMBL8913600

C[Si](C)(C)O[Si](C)(C)CCCCCCCCCCCCc1ccc(C(=O)O)cc1.N#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 2/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCB1 P08183 1/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
AR P10275 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL8912401 0.85 RARB (0.53) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4827176 0.82 RARB (0.72) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL16215324 0.81 TSHR (0.56) MAPTFAAHTSHRHSD17B10ABCB1
SCHEMBL4651820 0.81 RARB (0.72) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8912149 0.81 F2 (0.44) ALDH1A1MAPTTSHRHSD17B10MGLL
SCHEMBL4826735 0.80 RARB (0.71) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10817566 0.78 RARB (0.57) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8922934 0.78 CYP19A1 (0.40) RARBFAAHMGLL
SCHEMBL8913874 0.77 CYP11B1 (0.43) FAAH
SCHEMBL8913738 0.77 RARB (0.57) RARBALDH1A1MAPTTSHRPLA2G4B

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
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed