SCHEMBL9064003

SCHEMBL9064003

CCC(NC(=O)CCCCCCCCCCCCCCC(C)C)[N+](C)(C)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
FAAH O00519 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
PLA2G10 O15496 3/20 0.40
CETP P11597 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
DEGS1 O15121 1/20 0.37
NOD1 Q9Y239 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
DNM1 Q05193 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36

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
SCHEMBL2515616 0.86 FAAH (0.56) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL27600 0.86 FAAH (0.56) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL249653 0.86 FAAH (0.56) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL2523709 0.86 FAAH (0.56) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL335873 0.86 FAAH (0.56) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL2521250 0.86 FAAH (0.56) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL2156904 0.85 FAAH (0.44) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL2517211 0.84 FAAH (0.58) KMT2AFAAHMEN1MAPK1PLA2G10
SCHEMBL8993770 0.78 FAAH (0.52) KMT2AFAAHMEN1CETPDEGS1
SCHEMBL27553836 0.78 FAAH (0.52) KMT2AFAAHMEN1CETPDEGS1

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
EP-0458894-B1 LIPID EXCIPIENT FOR NASAL DELIVERY AND TOPICAL APPLICATION LIPOSOME CO INC (US) 1996-05-15 EP disclosed