SCHEMBL7568919

SCHEMBL7568919

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
PLA2G10 O15496 2/20 0.41
PLA2G2C Q5R387 1/20 0.40
NOD1 Q9Y239 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
DNM1 Q05193 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ASAH1 Q13510 1/20 0.37
ACER2 Q5QJU3 1/20 0.37
THRB P10828 1/20 0.36
CETP P11597 1/20 0.36
DEGS1 O15121 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
SCHEMBL7892248 0.89 PLA2G10 (0.44) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL1303483 0.87 FAAH (0.47) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL1304438 0.87 FAAH (0.47) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL97487 0.75 CA2 (0.41)
SCHEMBL7752126 0.75 CA2 (0.41)
SCHEMBL7747690 0.75 CA2 (0.41)
SCHEMBL3166335 0.74 FAAH (0.59) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL2876190 0.71 ALDH1A1 (0.42) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL11274282 0.71 FAAH (0.51) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL11363461 0.71 FAAH (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002074271-A1 OXIDATIVE TREATMENT OF HAIR WITH REDUCED HAIR DAMAGE THE PROCTER & GAMBLE COMPANY (US) 2002-09-26 WO disclosed
EP-0938290-A1 SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-09-01 EP disclosed
WO-1998004239-A2 SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-02-05 WO disclosed
WO-1998004237-A1 SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-02-05 WO disclosed
WO-1998004240-A2 SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-02-05 WO disclosed