SCHEMBL8445877

SCHEMBL8445877

CN(C)CCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
CYP3A4 P08684 3/20 0.74
HSD17B10 Q99714 2/20 0.74
POLB P06746 1/20 0.71
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
CYP2C19 P33261 3/20 0.60
CYP1A2 P05177 1/20 0.60
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR2F2 P24468 1/20 0.54
ADORA2A P29274 2/20 0.53
ADORA1 P30542 2/20 0.53
PABPC1 P11940 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2B P29275 1/20 0.52

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
Hydrochloric Acid SCHEMBL8421639 0.99 ALDH1A1 (0.72) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL935300 0.86 POLB (0.72) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL22521846 0.85 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10POLBCASP1
Hydrochloric Acid SCHEMBL2235939 0.85 POLB (0.70) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL516379 0.83 POLB (1.00) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL21765989 0.83 POLB (0.77) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL3455612 0.82 POLB (0.75) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL10421944 0.82 POLB (0.75) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL8664913 0.82 POLB (0.75) ALDH1A1CYP3A4HSD17B10POLBCASP1
SCHEMBL1978269 0.82 POLB (0.75) ALDH1A1CYP3A4HSD17B10POLBCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642781-B1 Stable acid oil-in-water emulsions OREAL (FR) 1999-01-20 EP disclosed
EP-0650352-B1 COSMETIC COMPOSITION IN THE FORM OF A WATER/OIL/WATER TRIPLE EMULSION WITH GELLED EXTERNAL PHASE OREAL (FR) 1996-09-11 EP disclosed
EP-0692237-B1 Surface active agents free oil in water emulsion, stabilized by hollow thermoplastic particles OREAL (FR) 1996-06-26 EP disclosed
EP-0648102-B1 COSMETIC COMPOSITION IN THE FORM OF A GELLED SILICONE/WATER TRIPLE WATER/OIL EMULSION OREAL (FR) 1996-03-20 EP disclosed
EP-0692237-A1 Surface active agents free oil in water emulsion, stabilized by hollow thermoplastic particles L'OREAL (FR) 1996-01-17 EP disclosed
EP-0650352-A1 COSMETIC COMPOSITION IN THE FORM OF A WATER/OIL/WATER TRIPLE EMULSION WITH GELLED EXTERNAL PHASE. OREAL (FR) 1995-05-03 EP disclosed
EP-0648102-A1 COSMETIC COMPOSITION IN THE FORM OF A GELLED SILICONE/WATER TRIPLE WATER/OIL EMULSION. OREAL (FR) 1995-04-19 EP disclosed
EP-0642781-A1 Stable acid oil-in-water emulsions and compositions containing them L'OREAL (FR) 1995-03-15 EP disclosed
WO-1994002120-A1 COSMETIC COMPOSITION IN THE FORM OF A WATER/OIL/WATER TRIPLE EMULSION WITH GELLED EXTERNAL PHASE L'OREAL (FR) 1994-02-03 WO disclosed
WO-1994001073-A1 COSMETIC COMPOSITION IN THE FORM OF A GELLED SILICONE/WATER TRIPLE WATER/OIL EMULSION L'OREAL (FR) 1994-01-20 WO disclosed