SCHEMBL6287723

SCHEMBL6287723

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PKM P14618 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6290620 0.98 CYP4F2 (0.41) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL28563052 0.87 MEN1 (0.46) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL6283874 0.86 MEN1 (0.49) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL9478485 0.85 MEN1 (0.42) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL15074624 0.85 MEN1 (0.42) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL10851975 0.83 MEN1 (0.50) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL28559339 0.82 MEN1 (0.44) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL283884 0.81 MEN1 (0.46) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL13755066 0.80 MEN1 (0.43) MEN1KMT2ACYP4F2CYP4A11PKM
SCHEMBL20988282 0.80 MEN1 (0.43) MEN1KMT2ACYP4F2CYP4A11PKM

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