SCHEMBL9536909

SCHEMBL9536909

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CPT1B Q92523 1/20 0.47
FAAH O00519 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
NOD1 Q9Y239 3/20 0.42
PLA2G2C Q5R387 1/20 0.42
DNM1 Q05193 1/20 0.41
PLA2G10 O15496 2/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G4A P47712 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL1626363 0.85 CPT2 (0.48) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL934075 0.85 CPT2 (0.48) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL8812137 0.85 CPT2 (0.48) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL3957297 0.85 CPT2 (0.48) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL6871243 0.85 CPT2 (0.48) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL915307 0.79 FABP3 (0.49) FAAH
SCHEMBL3230755 0.79 FABP3 (0.49) FAAH
SCHEMBL1177056 0.79 PLA2G2C (0.41) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL1304102 0.76 CPT2 (0.38) CPT2CPT1ACPT1BFAAHMEN1
SCHEMBL8824109 0.72 CPT2 (0.55) CPT2CPT1ACPT1BFAAHMEN1

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-0557426-A1 LIGHT-DUTY DISHWASHING DETERGENT COMPOSITION CONTAINING AN ALKYL ETHOXY CARBOXYLATE SURFACTANT AND CALCIUM OR MAGNESIUM IONS. PROCTER & GAMBLE (US) 1993-09-01 EP disclosed