SCHEMBL21456549

SCHEMBL21456549

CCC(=O)c1ccc(C(=O)CC(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10539937 0.84 ALDH1A1 (0.54) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL17295082 0.83 CA1 (0.57) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL1201267 0.83 NPC1 (0.62) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL434768 0.83 CA12 (0.57) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL333688 0.83 CA1 (0.57) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL14918369 0.83 CA1 (0.52) SMN1; SMN2MAPTKMT2AMEN1RAB9A
SCHEMBL5042255 0.82 KMT2A (0.67) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL8051337 0.82 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1KMT2AMEN1
SCHEMBL17295084 0.82 ALDH1A1 (0.64) MAPTKMT2ARAB9ANPC1ALDH1A1
SCHEMBL11827259 0.82 GSK3B (0.55) MAPTL3MBTL1KMT2AMEN1RAB9A

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-2019193854-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT, AND PRODUCTION METHOD FOR LIQUID CRYSTAL ELEMENT JSR株式会社 2019-10-10 WO disclosed