SCHEMBL9744408

SCHEMBL9744408

CCCCCCCCC(=O)OC(CC)CC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 6/20 0.54
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 3/20 0.50
GMNN O75496 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 3/20 0.50
CYP1A2 P05177 2/20 0.50
HSP90AA1 P07900 2/20 0.50
BLM P54132 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
CYP2C9 P11712 2/20 0.50
HIF1A Q16665 2/20 0.50
PRKCA P17252 1/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50

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
SCHEMBL9743373 1.00 MAPK1 (0.57) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL9743620 1.00 MAPK1 (0.57) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL9742357 1.00 MAPK1 (0.57) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL9745613 0.98 MAPK1 (0.54) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL9743364 0.98 MAPK1 (0.54) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL9743287 0.94 MAPK1 (0.47) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL11100702 0.90 MAPK1 (0.55) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL11105366 0.90 MAPK1 (0.55) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL10800244 0.90 MAPK1 (0.55) MAPK1MAPTLMNAALDH1A1MEN1
SCHEMBL11100643 0.88 MAPK1 (0.53) MAPK1MAPTLMNAALDH1A1MEN1

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-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed