SCHEMBL18265860

SCHEMBL18265860

C=C(C)C(=O)OCCCOc1cc(N)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

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 3/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ THRB P10828 1/20 0.33
▸ GAA P10253 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GLRA3 O75311 1/20 0.31
▸ GLRB P48167 1/20 0.31
▸ VCAM1 P19320 3/20 0.31
▸ ATM Q13315 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL11648102 0.84 TDP1 (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL11654877 0.81 THRB (0.45) TDP1POLBAPEX1HTTTSHR
SCHEMBL11668060 0.81 THRB (0.45) TDP1POLBAPEX1HTTTSHR
SCHEMBL11999077 0.79 POLB (0.55) TDP1POLBAPEX1HTTTSHR
SCHEMBL24708610 0.79 POLB (0.55) TDP1POLBAPEX1HTTTSHR
SCHEMBL3372532 0.77 PPARA (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL23638613 0.77 CA2 (0.43) POLBHTTTSHRCA1CA2
SCHEMBL7627033 0.77 TDP1 (0.40) TDP1POLBAPEX1HTTTSHR
SCHEMBL19252768 0.77 TDP1 (0.39) TDP1POLBAPEX1HTTTSHR
SCHEMBL7627057 0.77 POLB (0.39) 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
EP-2856218-B9 FULLY POLYMERIZED UV BLOCKING SILICONE HYDROGEL LENS BAUSCH & LOMB (US) 2016-11-30 — — EP disclosed
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