SCHEMBL12316166

SCHEMBL12316166

CCCCC/C=C/C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
CYP2D6 P10635 3/20 0.71
MAPK1 P28482 3/20 0.71
TP53 P04637 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
CETP P11597 7/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
THRB P10828 3/20 0.68
ASAH1 Q13510 2/20 0.67
ASAH2 Q9NR71 2/20 0.65
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SPHK2 Q9NRA0 3/20 0.50
SPHK1 Q9NYA1 3/20 0.50
GMNN O75496 2/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 2/20 0.50

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
SCHEMBL12795857 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL31003583 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL10001355 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL4169155 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL6661598 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL12994189 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL1976275 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL4140908 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL4133159 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2
SCHEMBL30652483 1.00 MAPT (0.71) MAPTCYP2D6MAPK1TP53CYP1A2

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
US-8263053-B2 Hair treatment compositions ACCESS BUSINESS GROUP INTERNATIONAL (US) 2012-09-11 US disclosed