SCHEMBL11274282

SCHEMBL11274282

CCCCCCCCCCCCCCCCCC(=O)NC(CC)C(C)[N+](C)(C)O.O=[N+]([O-])[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.51
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46
DNM1 Q05193 1/20 0.43
THRB P10828 1/20 0.41
CETP P11597 1/20 0.41
PLA2G10 O15496 2/20 0.41
NOD1 Q9Y239 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
DEGS1 O15121 1/20 0.40
ASAH2 Q9NR71 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL11363461 1.00 FAAH (0.51) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL3166335 0.93 FAAH (0.59) FAAHMEN1KMT2AMAPK1CPT2
Phosphoric Acid SCHEMBL9001330 0.89 MEN1 (0.51) FAAHMEN1KMT2AMAPK1CPT2
Phosphoric Acid SCHEMBL3172731 0.88 MEN1 (0.50) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL11318383 0.78 FAAH (0.51) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL12435848 0.77 FAAH (0.67) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL12435872 0.77 FAAH (0.67) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL10816745 0.76 FAAH (0.53) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL1310123 0.74 CPT2 (0.51) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL339771 0.74 CPT2 (0.51) FAAHMEN1KMT2AMAPK1CPT2

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-4331447-A ADDING AN OIL FRACTION AS A BINDER TO AN AQUEOUS SLURRY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-25 US disclosed