SCHEMBL6285895

SCHEMBL6285895

C=CCC(CCC(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 3/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6287244 0.89 MEN1 (0.40) MEN1KMT2APKMTHRBHTT
SCHEMBL6287321 0.87 MEN1 (0.41) MEN1KMT2APKMTHRBHTT
SCHEMBL6287558 0.85 MEN1 (0.40) MEN1KMT2APKMTHRBHTT
Hydrochloric Acid SCHEMBL6287563 0.85 MEN1 (0.40) MEN1KMT2APKMTHRBHTT
SCHEMBL28559339 0.84 MEN1 (0.44) MEN1KMT2APKMTHRBHTT
SCHEMBL283884 0.84 MEN1 (0.46) MEN1KMT2APKMTHRBHTT
SCHEMBL13755066 0.83 MEN1 (0.43) MEN1KMT2APKMTHRBHTT
SCHEMBL4740338 0.82 MEN1 (0.42) MEN1KMT2APKMTHRBHTT
SCHEMBL21359810 0.81 MEN1 (0.42) MEN1KMT2APKMTHRBHTT
SCHEMBL15074624 0.81 MEN1 (0.42) MEN1KMT2APKMTHRBHTT

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-6867161-B1 Titanium catalyst and organotitanium reacting reagent, production thereof, and reaction thereby NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-15 US disclosed
EP-0820809-A1 TITANIUM CATALYST, ORGANOTITANIUM REACTION REAGENT, PROCESSES FOR PRODUCING THESE, AND METHOD OF REACTION USING THESE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-01-28 EP disclosed