SCHEMBL7872447

SCHEMBL7872447

C=C(C)C(=O)OCCCC(C)(O[SiH3])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.39
PPARA Q07869 2/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
ELANE P08246 1/20 0.34
CHRM5 P08912 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL15404816 0.85 TDP1 (0.45) TDP1POLBAPEX1HTTTSHR
SCHEMBL3101729 0.82 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL17320926 0.82 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL7161569 0.82 THRB (0.47) TDP1TSHRTHRBPPARACHRM2
SCHEMBL234086 0.80 POLB (0.41) TDP1POLBAPEX1HTTTSHR
SCHEMBL3309534 0.78 AKR1B10 (0.39) PPARA
SCHEMBL3684293 0.76 THRB (0.39) TDP1POLBAPEX1HTTTSHR
SCHEMBL13801023 0.76 POLB (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL12227048 0.76 POLB (0.41) TDP1POLBAPEX1HTTTSHR
SCHEMBL28552216 0.76 POLB (0.44) TDP1POLBAPEX1HTTTSHR

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-6309708-B1 ORGANOMETALLIC POLYMERS DAIKIN INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed