SCHEMBL9815976

SCHEMBL9815976

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 1/20 0.62
CPT2 P23786 1/20 0.54
CPT1A P50416 1/20 0.54
CPT1B Q92523 1/20 0.54
DNM1 Q05193 1/20 0.51
HSP90AA1 P07900 1/20 0.48
PLA2G10 O15496 3/20 0.48
NOD1 Q9Y239 1/20 0.47
PLA2G2C Q5R387 1/20 0.47
ASAH2 Q9NR71 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL2520706 1.00 FAAH (0.62) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL7764561 1.00 FAAH (0.62) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL2514049 1.00 FAAH (0.62) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL2519536 0.85 FAAH (0.61) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL2517904 0.85 FAAH (0.61) FAAHMEN1KMT2AMAPK1CPT2
Hydrochloric Acid SCHEMBL598628 0.84 FAAH (0.65) FAAHMEN1KMT2AMAPK1CPT2
Iodide SCHEMBL9571583 0.84 FAAH (0.65) FAAHMEN1KMT2AMAPK1CPT2
Phosphoric Acid SCHEMBL10489010 0.82 FAAH (0.57) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL249653 0.81 FAAH (0.56) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL2521250 0.81 FAAH (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168719-B1 LOW PH HAIR CONDITIONER COMPOSITIONS CONTAINING AMINE OXIDES Revlon, Inc. (US) 1991-10-30 EP disclosed
EP-0133905-B1 LOW PH HAIR CONDITIONER AND NEUTRALIZER CONDITIONING COMPOSITIONS CONTAINING AMINE OXIDES Revlon, Inc. (US) 1991-09-18 EP disclosed
US-4714610-A ANTISTATIC AGENTS REVLON, INC. (US) 1987-12-22 US disclosed
EP-0168719-A2 Low pH hair conditioner compositions containing amine oxides Revlon, Inc. (US) 1986-01-22 EP disclosed
EP-0133905-A2 Low pH hair conditioner and neutralizer conditioning compositions containing amine oxides Revlon, Inc. (US) 1985-03-13 EP disclosed