SCHEMBL8660433

SCHEMBL8660433

CCCCCCCCCCCCNC(CCO)[N+](C)(C)C(CCO)(CC(=O)O)C(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
PLA2G2A P14555 1/20 0.33
NAAA Q02083 1/20 0.33
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
EPHX1 P07099 4/20 0.31
PLA2G4A P47712 1/20 0.31

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
SCHEMBL1177056 0.84 PLA2G2C (0.41) CPT2CPT1ACPT1BPLA2G2A
SCHEMBL8524200 0.84 EPHX2 (0.34)
SCHEMBL7103900 0.81 HSPD1 (0.37) HSPD1BLMHSPE1
SCHEMBL127826 0.81 HSPD1 (0.37) HSPD1BLMHSPE1
SCHEMBL11066179 0.78 CA2 (0.37) CPT2CPT1ACPT1BEPHX1
SCHEMBL10423885 0.72 HSPD1 (0.31) HSPD1BLMHSPE1
SCHEMBL15988546 0.71 CA2 (0.38) CPT2CPT1ACPT1BEPHX1
SCHEMBL1304102 0.70 CPT2 (0.38) CPT2CPT1ACPT1BPLA2G2A
SCHEMBL9437219 0.69 TDP1 (0.40) CPT2HSPD1BLMHSPE1
SCHEMBL5997470 0.69 TDP1 (0.40) CPT2HSPD1BLMHSPE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859594-A1 CONDITIONING SHAMPOOS CONTAINING POLYALKYLENE GLYCOL THE PROCTER & GAMBLE COMPANY (US) 1998-08-26 EP disclosed
WO-1997014405-A1 CONDITIONING SHAMPOOS CONTAINING POLYALKYLENE GLYCOL THE PROCTER & GAMBLE COMPANY (US) 1997-04-24 WO disclosed