SCHEMBL25444573

SCHEMBL25444573

C=C(C)C(=O)OCCOCCOCCOc1ccc(/C=C/C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
FDPS P14324 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TYR P14679 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
APP P05067 3/20 0.43
LMNA P02545 2/20 0.43
GSK3B P49841 1/20 0.42
THRB P10828 1/20 0.41
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6394152 0.96 TDP1 (0.49) TDP1FDPSPOLBAPEX1HTT
SCHEMBL6394150 0.96 TDP1 (0.49) TDP1FDPSPOLBAPEX1HTT
SCHEMBL7691949 0.93 TDP1 (0.46) TDP1FDPSPOLBAPEX1HTT
SCHEMBL8102789 0.93 TDP1 (0.46) TDP1FDPSPOLBAPEX1HTT
SCHEMBL15946556 0.92 MAPT (0.56) TDP1FDPSPOLBAPEX1HTT
SCHEMBL2707381 0.90 TDP1 (0.54) TDP1FDPSPOLBAPEX1HTT
SCHEMBL2707379 0.90 TDP1 (0.54) TDP1FDPSPOLBAPEX1HTT
SCHEMBL9951811 0.90 TDP1 (0.57) TDP1FDPSPOLBAPEX1HTT
SCHEMBL9951812 0.90 TDP1 (0.57) TDP1FDPSPOLBAPEX1HTT
SCHEMBL9952736 0.89 TDP1 (0.60) TDP1FDPSPOLBAPEX1HTT

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
WO-2023080405-A1 PHOTOALIGNMENT COMPOUND, MANUFACTURING METHOD THEREFOR, LIQUID CRYSTAL PHOTOALIGNMENT AGENT USING SAME, AND RETARDATION FILM COMPRISING SAME 주식회사 클랩 2023-05-11 WO disclosed