SCHEMBL20202283

SCHEMBL20202283

C=C(C)C(=O)OCCNC(=O)Oc1cc(-c2ccc(CC)c(O)c2)ccc1CC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B1 P14061 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ASAH1 Q13510 1/20 0.31
MGLL Q99685 2/20 0.30

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
SCHEMBL20202284 0.83 HSD17B1 (0.41) HSD17B1POLBHTT
SCHEMBL20202282 0.77 HSD17B1 (0.39) THRBTSHRHSD17B1POLBHTT
SCHEMBL24434317 0.76 SLC6A9 (0.39)
SCHEMBL29687625 0.76 SLC6A9 (0.39)
SCHEMBL12349867 0.73 MGLL (0.47) POLBHTTTDP1L3MBTL1MGLL
SCHEMBL12446626 0.73 SMN1; SMN2 (0.40) NCEH1THRBPOLBAPEX1HTT
SCHEMBL13630525 0.72 PTGS1 (0.44) TDP1L3MBTL1
SCHEMBL12717095 0.72 POLB (0.44) POLBAPEX1HTTTDP1L3MBTL1
SCHEMBL22647991 0.72 MAPT (0.49) POLBAPEX1HTTTDP1L3MBTL1
SCHEMBL17350453 0.71 KDM4E (0.45) HTTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed