SCHEMBL9744369

SCHEMBL9744369

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 6/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 3/20 0.46
MEN1 O00255 3/20 0.45
GMNN O75496 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
HSP90AA1 P07900 2/20 0.45
BLM P54132 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
CYP2C9 P11712 2/20 0.45
HIF1A Q16665 2/20 0.45
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45

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
SCHEMBL9742627 0.95 MAPK1 (0.59) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL9743416 0.93 MAPK1 (0.62) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL9743285 0.93 MAPK1 (0.62) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL9745584 0.93 MAPK1 (0.62) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL9743044 0.89 MAPK1 (0.42) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL24951356 0.86 MAPK1 (0.49) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL10283328 0.85 MAPT (0.62) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL9743441 0.84 LMNA (0.51) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL18485299 0.84 CYP1A2 (0.64) MAPK1MAPTLMNAALDH1A1CYP1A2
SCHEMBL9743208 0.83 LMNA (0.50) MAPK1MAPTLMNAALDH1A1CYP1A2

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