SCHEMBL7910564

SCHEMBL7910564

C=CC(CCOCc1ccccc1)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
TEAD3 Q99594 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP8 P22894 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
PIN1 Q13526 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL20132828 0.80 LMNA (0.45) LMNAL3MBTL1TDP1CYP2C19ALDH1A1
SCHEMBL20132790 0.80 LMNA (0.45) LMNAL3MBTL1TDP1CYP2C19ALDH1A1
SCHEMBL7910919 0.80 MEN1 (0.43) LMNAL3MBTL1TDP1TEAD3ALDH1A1
SCHEMBL900165 0.79 TDP1 (0.57) LMNAL3MBTL1TDP1ALDH1A1MMP8
SCHEMBL23620881 0.78 L3MBTL1 (0.51) LMNAL3MBTL1TDP1CYP2C19ALDH1A1
SCHEMBL20180360 0.78 L3MBTL1 (0.51) LMNAL3MBTL1TDP1CYP2C19ALDH1A1
SCHEMBL20180712 0.78 L3MBTL1 (0.51) LMNAL3MBTL1TDP1CYP2C19ALDH1A1
SCHEMBL20057281 0.78 L3MBTL1 (0.43) LMNAL3MBTL1TDP1TEAD3ALDH1A1
SCHEMBL12677778 0.77 TDP1 (0.55) LMNAL3MBTL1TDP1ALDH1A1MMP8
SCHEMBL18355825 0.76 TDP1 (0.50) LMNAL3MBTL1TDP1ALDH1A1MMP8

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-6211360-B1 DRUG ABRUSE THERAPY; PLANT EXTRACTS ALBANY MEDICAL COLLEGE 2001-04-03 US disclosed