SCHEMBL9744311

SCHEMBL9744311

CCC(C)COC(=O)CC(O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCA P17252 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.34
ELANE P08246 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL9744410 0.87 MAPT (0.39) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL5907693 0.86 MAPT (0.43) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL9742565 0.86 TSHR (0.41) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL9742369 0.84 TSHR (0.46) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL574287 0.83 MAPT (0.44) MAPTPRKCARECQLELANECYP3A4
SCHEMBL14672440 0.82 MAPT (0.41) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL14069518 0.82 MAPT (0.41) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL12560394 0.81 PRKCA (0.41) MAPTKDM4EDUSP3MEN1KMT2A
SCHEMBL9743513 0.81 ALOX15 (0.35) MAPT
SCHEMBL9925380 0.79 MAPT (0.44) MAPTKDM4EDUSP3MEN1KMT2A

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