SCHEMBL14707201

SCHEMBL14707201

C=CC(=O)NC(C)(C)CC(C)(C)C(C)(CC)CCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4906709 0.81 KMT2A (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL22355690 0.79 ALDH1A1 (0.49) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL19860763 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL9762672 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL460924 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL36167 0.75 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL28949902 0.75 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Hydrogen Sulfide SCHEMBL28295812 0.75 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Phosphoric Acid SCHEMBL22773434 0.75 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Phosphonic Acid SCHEMBL2552718 0.75 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559741-A2 Ink composition, image forming method, and printed material Fujifilm Corporation (JP) 2013-02-20 EP disclosed