SCHEMBL9715816

SCHEMBL9715816

C=C(C)C(=O)OCCCc1ccccc1[SiH](Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 5/20 0.42
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ELANE P08246 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32
CHRNA7 P36544 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
SCHEMBL3517115 0.85 TDP1 (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL8666446 0.84 TDP1 (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL2345681 0.83 THRB (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL8670042 0.83 THRB (0.43) TDP1POLBAPEX1HTTTSHR
SCHEMBL15361896 0.83 TSHR (0.46) TDP1POLBAPEX1HTTTSHR
SCHEMBL15361902 0.82 TDP1 (0.46) TDP1POLBAPEX1HTTTSHR
SCHEMBL27637386 0.80 TSHR (0.54) TDP1POLBAPEX1HTTTSHR
SCHEMBL15361829 0.78 TSHR (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL1782446 0.77 POLB (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL29315497 0.77 POLB (0.46) 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 3 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
US-4759991-A Substrate, ferromagnetic metal thin film and lubricating coating layer of graft copolymer of silicon and radical polymerizable monomer TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-26 US disclosed