SCHEMBL9715833

SCHEMBL9715833

C=Cc1cccc(CC[Si](C)(C)Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 5/20 0.31
PLAU P00749 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL9715858 0.90 TP53 (0.43) TP53TDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL9715856 0.86 TP53 (0.41) TP53TDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL28395002 0.84 TP53 (0.41) TP53TDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL9715903 0.83 TP53 (0.46) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL1270787 0.81 TP53 (0.41) TP53TDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL28404171 0.80 TP53 (0.39) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL29375309 0.80 TP53 (0.52) TP53TDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL595016 0.80 TP53 (0.52) TP53TDP1CYP4F2CYP4A11ALDH1A1
SCHEMBL29871077 0.79 TP53 (0.46) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL28846228 0.79 TP53 (0.46) TP53TDP1ALDH1A1TSHRFAAH

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-5098981-A POLYORGANOSILOXANE CHISSO CORPORATION (JP) 1992-03-24 US disclosed
EP-0349920-A2 Polyorganosiloxane Chisso Corporation (JP) 1990-01-10 EP disclosed