SCHEMBL9936145

SCHEMBL9936145

CCCCC(=O)OCC(C)C=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCA P17252 4/20 0.46
PRKCE Q02156 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
DGKA P23743 2/20 0.46

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
SCHEMBL4446355 0.95 MAPT (0.64) MAPTLMNATSHRALDH1A1CYP3A4
SCHEMBL30970147 0.93 MAPT (0.67) MAPTLMNATSHRALDH1A1KDM4E
SCHEMBL4453537 0.93 MAPT (0.67) MAPTLMNATSHRALDH1A1KDM4E
SCHEMBL4456932 0.93 MAPT (0.67) MAPTLMNATSHRALDH1A1KDM4E
SCHEMBL27296818 0.89 MAPT (0.46) MAPTLMNATSHRALDH1A1CYP3A4
SCHEMBL9756884 0.80 MAPT (0.63) MAPTLMNATSHRALDH1A1CYP3A4
SCHEMBL127789 0.80 MAPT (0.63) MAPTLMNATSHRALDH1A1CYP3A4
SCHEMBL10403567 0.79 MAPT (0.85) MAPTLMNATSHRALDH1A1CYP3A4
SCHEMBL21699936 0.77 MAPT (0.65) MAPTLMNATSHRALDH1A1KDM4E
SCHEMBL4310169 0.77 MAPT (0.59) MAPTLMNATSHRALDH1A1CYP3A4

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
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed