SCHEMBL6504276

SCHEMBL6504276

CCCCCCCCCC(=O)N[C@@](O)(CCN1CCOCC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
CYP2C19 P33261 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
MAPT P10636 1/20 0.55
UGCG Q16739 1/20 0.55
MTOR P42345 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GMNN O75496 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL4827097 1.00 MEN1 (0.55) MEN1KMT2ACYP2C19TP53CYP3A4
SCHEMBL6549161 0.81 OPRM1 (0.47) MEN1KMT2ACYP2C19TP53CYP3A4
SCHEMBL6550203 0.81 SIRT2 (0.48) MEN1KMT2ACYP2C19TP53CYP3A4
SCHEMBL6548454 0.81 OPRM1 (0.46) MEN1KMT2ACYP2C19TP53CYP3A4
SCHEMBL6549118 0.81 OPRM1 (0.50) MEN1KMT2ATP53MAPK1OPRM1
SCHEMBL21634178 0.78 EPHX2 (0.52) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL7768218 0.78 MEN1 (0.53) MEN1KMT2ATP53MAPTOPRM1
SCHEMBL7771047 0.78 MEN1 (0.55) MEN1KMT2ACYP2C19TP53CYP3A4
SCHEMBL6548467 0.77 OPRM1 (0.46) MEN1KMT2ACYP2C19TP53CYP3A4
SCHEMBL17913115 0.76 UGCG (0.56) TP53MAPTUGCGOPRM1SMN1; SMN2

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-6890949-B1 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-05-10 US disclosed