SCHEMBL21472345

SCHEMBL21472345

C=C(C)C(=O)OCCCOc1ccc(-c2cc(C)cc(-c3ccc(OC(=O)C(=C)C)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ELANE P08246 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
DHODH Q02127 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 3/20 0.36
MEN1 O00255 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36

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
SCHEMBL15062131 0.91 POLB (0.56) POLBAPEX1HTTTDP1ELANE
SCHEMBL689051 0.91 POLB (0.62) POLBAPEX1HTTTDP1ELANE
SCHEMBL25945276 0.88 TDP1 (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL19912243 0.88 POLB (0.53) POLBAPEX1HTTTDP1PPARG
SCHEMBL21254277 0.87 POLB (0.44) POLBAPEX1HTTTDP1ELANE
SCHEMBL690787 0.87 HTT (0.67) POLBAPEX1HTTTDP1ELANE
SCHEMBL17070345 0.87 POLB (0.52) POLBAPEX1HTTTDP1ELANE
SCHEMBL19917666 0.87 POLB (0.52) POLBAPEX1HTTTDP1ELANE
SCHEMBL19917680 0.87 POLB (0.52) POLBAPEX1HTTTDP1ELANE
SCHEMBL18621846 0.86 POLB (0.49) POLBAPEX1HTTTDP1ELANE

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-3149109-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed