SCHEMBL2051912

SCHEMBL2051912

CCCCCCCCCCCCCCCCOC(CCCCCCCC)CCCCCCCCC=CCO

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
LPAR1 Q92633 3/20 0.45
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
DNM1 Q05193 1/20 0.43

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
SCHEMBL251323 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL519182 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL7072490 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL170304 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL7994536 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL251871 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL519027 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL438865 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL27586618 0.85 ALDH1A1 (0.46) ALDH1A1CNR1CNR2
SCHEMBL490687 0.84 CNR2 (0.54) ALDH1A1CNR1CNR2LPAR1LPAR3

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
US-8414905-B2 Film coating compositions based on polyvinyl alcohol-polyether graft copolymer/polyvinyl alcohol combinations with an improved moisture barrier effect BASF SE (DE) 2013-04-09 US disclosed
US-20110142888-A1 FILM COATING COMPOSITIONS BASED ON POLYVINYL ALCOHOL-POLYETHER GRAFT COPOLYMER/POLYVINYL ALCOHOL COMBINATIONS WITH AN IMPROVED MOISTURE BARRIER EFFECT BASF SE (DE) 2011-06-16 US disclosed