SCHEMBL21989264

SCHEMBL21989264

COC1=CCC(/C=C/C(=O)O)=CC(OC)=C1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PKM P14618 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 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
SCHEMBL17699256 0.66 THRB (0.39) APEX1THRBATMKDM4EALDH1A1
SCHEMBL10378479 0.59
SCHEMBL31337844 0.59 HCAR2 (0.39) APEX1THRBATMKDM4EALDH1A1
SCHEMBL6446355 0.59 HCAR2 (0.39) APEX1THRBATMKDM4EALDH1A1
SCHEMBL183861 0.59 HCAR2 (0.39) APEX1THRBATMKDM4EALDH1A1
SCHEMBL23135099 0.57 HCAR2 (0.36) APEX1THRBKDM4EALDH1A1HPGD
SCHEMBL1225040 0.57 HCAR2 (0.38) APEX1THRBATMKDM4EALDH1A1
SCHEMBL1225045 0.57 HCAR2 (0.38) APEX1THRBATMKDM4EALDH1A1
SCHEMBL22462693 0.57 PKM (0.37) APEX1THRBATMKDM4EALDH1A1
SCHEMBL22462692 0.57 PKM (0.37) APEX1THRBATMKDM4EALDH1A1

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-3130465-B1 HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA NV (BE) 2020-05-13 EP disclosed