SCHEMBL9743441

SCHEMBL9743441

CCCCC(=O)OC(CC)CC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 5/20 0.50
MAPT P10636 5/20 0.50
PRKCA P17252 1/20 0.47
PRKCE Q02156 1/20 0.47
PRKCQ Q04759 1/20 0.47
PRKCD Q05655 1/20 0.47
CYP1A2 P05177 3/20 0.45
MEN1 O00255 3/20 0.44
GMNN O75496 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HSP90AA1 P07900 2/20 0.44
BLM P54132 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 2/20 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
SCHEMBL9743003 0.95 LMNA (0.58) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9742997 0.93 LMNA (0.61) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9743594 0.93 LMNA (0.61) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9744414 0.89 ALDH1A1 (0.42) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9743058 0.89 ALDH1A1 (0.42) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9744397 0.88 LMNA (0.50) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9743208 0.88 LMNA (0.50) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL24951359 0.87 LMNA (0.49) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9745570 0.87 LMNA (0.53) LMNAALDH1A1MAPK1MAPTPRKCA
SCHEMBL9744369 0.84 MAPK1 (0.51) LMNAALDH1A1MAPK1MAPTPRKCA

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-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed
EP-0384189-A2 Optically active compound and a process for the production thereof CHISSO CORPORATION (JP) 1990-08-29 EP disclosed