SCHEMBL11217501

SCHEMBL11217501

NCCC(N)=CCCCCCCCCCCC=C(N)CCN

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8063170 0.79 GABRR3 (0.36) CYP1A2KMT2A
SCHEMBL27753478 0.77 DNM1 (0.50) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL10861541 0.75
SCHEMBL27726436 0.73 DNM1 (0.46) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL19261784 0.73 FAAH (0.55) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL21956035 0.73 FAAH (0.55) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL13716847 0.73 FAAH (0.50) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL8747361 0.73 FAAH (0.55) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL417792 0.73 FAAH (0.50) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL1787558 0.72

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
JP-57018753-A None JP disclosed
JP-S5718753-A EPOXY RESIN MORTAR HAVING HIGH WORDABILITY KAO CORP 1982-01-30 JP disclosed