SCHEMBL9728294

SCHEMBL9728294

CCC(C)OC(=O)N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL16965605 0.86 KMT2A (0.42) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL10087914 0.83 CA2 (0.40) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL18388356 0.83 CA12 (0.43) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL8909949 0.81 KMT2A (0.45) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL17092988 0.81 KMT2A (0.45) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL16556292 0.81 KMT2A (0.38) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL16965090 0.81 KMT2A (0.38) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL18050731 0.81 LMNA (0.40) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL19018742 0.79 MMP1 (0.46) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL16964936 0.79 MEN1 (0.43) KMT2AMEN1MMP1MMP2MMP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016186963-A1 OXABICYCLOHEPTANE PRODRUGS LIXTE BIOTECHNOLOGY, INC. (US) 2016-11-24 WO disclosed
EP-2568019-B1 Inkjet ink JNC CORP (JP) 2015-09-02 EP disclosed
EP-2568019-A1 Inkjet ink JNC Corporation (JP) 2013-03-13 EP disclosed
US-5084541-A Self curing, crosslinking compounds to form environmentally resistant coatings AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-4939213-A Triazine crosslinking agents and curable compositions containing the same AMERICAN CYANAMID COMPANY (US) 1990-07-03 US disclosed
US-3969262-A Process for the production of synthetic plastics comprising urethane groups and biuret groups BAYER AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed