SCHEMBL7794520

SCHEMBL7794520

CCCCCCCCC=CCCCCCCCCOCC[N+](C)(CCO)CCOCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL7794515 1.00 MEN1 (0.49) MEN1THRBHTTKMT2AMAPT
Hydrochloric Acid SCHEMBL2870004 0.90 LPAR1 (0.45) LPAR1LPAR3LPAR2
Hydrochloric Acid SCHEMBL2870007 0.90 LPAR1 (0.45) LPAR1LPAR3LPAR2
SCHEMBL7591921 0.88 MEN1 (0.55) MEN1THRBHTTKMT2AMAPT
SCHEMBL5164968 0.88 MEN1 (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL7797368 0.88 MEN1 (0.39) MEN1THRBHTTKMT2AMAPT
SCHEMBL417769 0.83 DNM1 (0.53) MEN1KMT2AMAPT
SCHEMBL417771 0.83 DNM1 (0.53) MEN1KMT2AMAPT
SCHEMBL4260134 0.83 DNM1 (0.53) MEN1KMT2AMAPT
SCHEMBL7783882 0.83 DNM1 (0.53) MEN1KMT2AMAPT

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-0704522-B1 Dryer-activated fabric conditioning compositions containing unsaturated fatty acid PROCTER & GAMBLE (US) 2001-11-28 EP claimed