SCHEMBL6283874

SCHEMBL6283874

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 5/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
HTT P42858 1/20 0.41
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
FAAH O00519 3/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 1/20 0.35

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
SCHEMBL28563052 0.98 MEN1 (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9478485 0.93 MEN1 (0.42) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL20988282 0.91 MEN1 (0.43) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL6290620 0.88 CYP4F2 (0.41) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL28248750 0.87 TSHR (0.47) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL15074624 0.87 MEN1 (0.42) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL28559339 0.86 MEN1 (0.44) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL6287723 0.86 MEN1 (0.39) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL8216269 0.84 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11001712 0.84 MEN1 (0.59) MEN1KMT2AMAPTATML3MBTL1

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