SCHEMBL28813952

SCHEMBL28813952

CC1=C(C)N(C)CN1C.COC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 2/20 0.34
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Acetic Acid SCHEMBL28276827 0.82 FFAR3 (0.39)
SCHEMBL3431981 0.75 BRD4 (0.45) KMT2ABRD4MEN1CYP1A2HIF1A
Hydrochloric Acid SCHEMBL31243257 0.73 GAA (0.31) KDM4EALDH1A1MAPT
SCHEMBL1681009 0.72
SCHEMBL28296556 0.70 ALDH1A1 (0.32) KMT2AHTTCYP2C19CYP1A2HIF1A
SCHEMBL27553773 0.69 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL37752 0.69
Cyclohexane SCHEMBL11243795 0.67 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
Cyclopropane SCHEMBL18825318 0.67
SCHEMBL18154634 0.66

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
CN-104136585-A Imidazolium salts as additives for fuels and combustibles BASF SE 2014-11-05 CN disclosed