SCHEMBL8529853

SCHEMBL8529853

CCCCC(CC)CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 5/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 2/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ASAH1 Q13510 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8533291 0.80 CYP3A4 (0.48) ALDH1A1TSHRKDM4ECYP3A4CA2
SCHEMBL28194456 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4CA2L3MBTL1
SCHEMBL22467337 0.79 KDM4E (0.46) KDM4EL3MBTL1MEN1KMT2AASAH1
SCHEMBL15057658 0.79 KDM4E (0.46) KDM4EL3MBTL1MEN1KMT2AASAH1
SCHEMBL18992757 0.77 FAAH (0.50) KDM4EMEN1KMT2AASAH1MAPK1
SCHEMBL8348375 0.77 ALDH1A1 (0.63) ALDH1A1TSHRKDM4ECYP3A4CA2
SCHEMBL28446577 0.77 FAAH (0.50) KDM4EMEN1KMT2AASAH1MAPK1
SCHEMBL9643899 0.77 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ECYP3A4CA2
SCHEMBL7608018 0.76 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4CA2L3MBTL1
SCHEMBL788541 0.76 FAAH (0.53) MEN1KMT2AASAH1MAPK1

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-5849308-A Method of providing surfactant properties to a cosmetic or pharmaceutical composition using alkyl N-(hydroxyalkyl) carbamates L'OREAL (FR) 1998-12-15 US disclosed