SCHEMBL5696572

SCHEMBL5696572

CC(OC(=O)Nc1ccccc1)C(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.51
HSD17B10 Q99714 2/20 0.50
MTOR P42345 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 2/20 0.47
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL14515474 0.83 CASP3 (0.49) KLK7HSD17B10CASP3HPGDALOX15
SCHEMBL28571893 0.83 KLK7 (0.54) KLK7HSD17B10MTORPOLBCYP1A2
SCHEMBL28568899 0.83 KLK7 (0.54) KLK7HSD17B10MTORPOLBCYP1A2
Propham SCHEMBL67344 0.80 SMN1; SMN2 (0.66) KLK7HSD17B10CASP3HPGDALOX15
Propham SCHEMBL8536412 0.80 SMN1; SMN2 (0.66) KLK7HSD17B10CASP3HPGDALOX15
Propham SCHEMBL28077800 0.79 SMN1; SMN2 (0.64) KLK7HSD17B10CASP3HPGDALOX15
SCHEMBL11358778 0.79 SMN1; SMN2 (0.50) KLK7HSD17B10CASP3HPGDALOX15
SCHEMBL11802080 0.79 RAB9A (0.48) KLK7CASP3HPGDALOX15CASP7
SCHEMBL2564007 0.77 CASP3 (0.53) KLK7HSD17B10POLBCASP3HPGD
SCHEMBL910267 0.77 CASP3 (0.53) KLK7HSD17B10POLBCASP3HPGD

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-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed