SCHEMBL8710489

SCHEMBL8710489

CCOC(=O)C(CCc1ccc(-c2ccc(OC)cc2)cc1)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GLA P06280 1/20 0.54
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 2/20 0.49
MEN1 O00255 2/20 0.48
LDHA P00338 1/20 0.47
F2RL1 P55085 1/20 0.46
LMNA P02545 2/20 0.46
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL28126623 0.95 KMT2A (0.57) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL7055409 0.88 KMT2A (0.54) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL11206752 0.87 TDP1 (0.57) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL29681728 0.86 TDP1 (0.51) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL12888456 0.86 KMT2A (0.51) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL15714182 0.86 KMT2A (0.51) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL8710492 0.85 KMT2A (0.50) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL28126648 0.84 LDHA (0.49) KMT2AGLAALDH1A1TDP1MAPK1
SCHEMBL17168472 0.82 LMNA (0.56) KMT2AGLAALDH1A1TDP1L3MBTL1
SCHEMBL28132820 0.82 LDHA (0.47) KMT2AGLAALDH1A1TDP1MAPK1

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
US-5849217-A Optically active compound, liquid crystal composition containing the same, liquid crystal device using the same, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1998-12-15 US disclosed