SCHEMBL11414972

SCHEMBL11414972

CC(C)[Si](Cl)(Cl)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.43
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 3/20 0.43
MAOA P21397 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL523575 0.83 TDP1 (0.43) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL11348983 0.76 AOC3 (0.41) SIGMAR1TDP1CYP2D6CYP2C9CYP2C19
SCHEMBL523393 0.76 TDP1 (0.48) TAAR1SLC6A2MAOACYP2A6TDP1
SCHEMBL523595 0.76 TDP1 (0.48) TAAR1SLC6A2MAOACYP2A6TDP1
SCHEMBL5804199 0.75 TDP1 (0.48) SIGMAR1TDP1CYP2D6CYP2C9CYP2C19
SCHEMBL208903 0.75 TDP1 (0.52) SIGMAR1TAAR1SLC6A2MAOACYP2A6
SCHEMBL1030793 0.75 TDP1 (0.52) SIGMAR1TAAR1SLC6A2MAOACYP2A6
SCHEMBL1482295 0.75 TDP1 (0.52) SIGMAR1TAAR1SLC6A2MAOACYP2A6
SCHEMBL11414579 0.75 AOC3 (0.43) SIGMAR1TDP1CYP2C9CYP2C19KMT2A
SCHEMBL6532094 0.73 TDP1 (0.50) SIGMAR1TAAR1SLC6A2MAOACYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242272-A Substituted phenethyldichlorosilanes and method for producing same CHISSO CORPORATION (JP) 1980-12-30 US disclosed
EP-0000614-A1 Production of dichlorosilane derivatives Chisso Corporation (JP) 1979-02-07 EP disclosed