SCHEMBL9746499

SCHEMBL9746499

CC(C)C([SiH3])(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
KCNN4 O15554 4/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 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
SCHEMBL8089565 0.75 TSHR (0.50) TSHRCYP1A2CYP2D6KCNN4MAPK1
SCHEMBL9402267 0.73 TSHR (0.48) TSHRCYP1A2CYP2D6KCNN4MAPK1
SCHEMBL15302768 0.72 TSHR (0.52) TSHRCYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL2276139 0.71 TSHR (0.40) TSHRCYP1A2CYP2D6KCNN4MAPK1
SCHEMBL4331801 0.71 TSHR (0.46) TSHRCYP1A2CYP2D6MAPK1ALDH1A1
SCHEMBL9746482 0.71 TSHR (0.46) TSHRCYP1A2CYP2D6KCNN4MAPK1
SCHEMBL1033284 0.71 TSHR (0.58) TSHRCYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL7580317 0.71 TSHR (0.58) TSHRCYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL11044685 0.69 CYP2D6 (0.46) TSHRCYP1A2CYP2D6KCNN4MAPK1
SCHEMBL22402881 0.69 CYP2D6 (0.46) TSHRCYP1A2CYP2D6KCNN4MAPK1

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed