SCHEMBL4756707

SCHEMBL4756707

CCCCCCCCCCCCCC(=O)C(C)(CN(C)CC(O)O)C(=O)CCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 8/20 0.43
▸ CES1 P23141 5/20 0.43
▸ CES2 O00748 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4756696 1.00 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4755766 1.00 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL724408 0.80 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4790143 0.80 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7870486 0.80 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4755679 0.80 FAAH (0.52) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4753504 0.79 FAAH (0.44) FAAHCES1CES2MEN1CYP1A2
Trimethylammonium SCHEMBL4658910 0.74 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
Trimethylammonium SCHEMBL1711942 0.74 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
Trimethylammonium SCHEMBL3246194 0.74 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2

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
WO-2008155141-A2 NOVEL FACULTATIVE CATONIC STEROLS NOVOSOM AG (DE) 2008-12-24 — — WO disclosed
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