SCHEMBL28818564

SCHEMBL28818564

CCC(=CC=O)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 4/20 0.46
F2 P00734 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TDP1 Q9NUW8 5/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL10900780 0.81 LMNA (0.49) LMNATSHRF2CES2CES1
SCHEMBL15375452 0.78 LMNA (0.46) LMNATSHRF2CES2CES1
SCHEMBL29076152 0.76 LMNA (0.47) LMNATSHRF2CES2CES1
SCHEMBL9183020 0.75 TDP1 (0.48) LMNATSHRF2CES2CES1
SCHEMBL4577714 0.75 LMNA (0.46) LMNATSHRF2CES2CES1
SCHEMBL29788769 0.74 LMNA (0.67) LMNATSHRF2CES2CES1
SCHEMBL5799668 0.74 TSHR (0.52) LMNATSHRF2CES2CES1
SCHEMBL5799667 0.74 TSHR (0.52) LMNATSHRF2CES2CES1
SCHEMBL242716 0.74 LMNA (0.57) LMNATSHRF2CES2CES1
Formic Acid SCHEMBL27875019 0.73 LMNA (0.58) LMNATSHRF2CES2CES1

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
CN-114901653-A Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-12 CN disclosed