SCHEMBL11030639

SCHEMBL11030639

NC(=O)/C=C\C(=O)OC(=S)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
TAS2R38 P59533 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TYR P14679 1/20 0.46
GAA P10253 9/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
MAPT P10636 3/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 2/20 0.41
DDAH1 O94760 1/20 0.41

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
SCHEMBL11028032 0.84 ALDH1A1 (0.44) ALDH1A1TP53TSHRGAALMNA
SCHEMBL3058150 0.80 ALDH1A1 (0.55) ALDH1A1TP53TSHRTAS2R38HSD17B10
SCHEMBL3064867 0.76 ALDH1A1 (0.59) ALDH1A1TP53TSHRTAS2R38HSD17B10
SCHEMBL3082737 0.75 ALDH1A1 (0.61) ALDH1A1TP53TSHRTAS2R38HSD17B10
SCHEMBL2682630 0.74 MAPT (0.68) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL3067345 0.74 GAA (0.51) ALDH1A1TP53TSHRTAS2R38HSD17B10
SCHEMBL5176397 0.74 MAPT (0.68) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL2682631 0.74 MAPT (0.68) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL3082854 0.73 ALDH1A1 (0.55) ALDH1A1TP53TSHRTAS2R38HSD17B10
Styrene SCHEMBL4952805 0.69 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079878-B1 RUBBER COMPOSITIONS AND METHOD OF TREATING RUBBER MONSANTO COMPANY (US) 1985-07-10 EP claimed
EP-0079878-A1 Rubber compositions and method of treating rubber MONSANTO COMPANY (US) 1983-05-25 EP claimed
US-4376189-A Rubber compositions and method of treating rubber MONSANTO COMPANY (US) 1983-03-08 US claimed
EP-0079878-B1 RUBBER COMPOSITIONS AND METHOD OF TREATING RUBBER MONSANTO COMPANY (US) 1985-07-10 EP disclosed
EP-0079878-A1 Rubber compositions and method of treating rubber MONSANTO COMPANY (US) 1983-05-25 EP disclosed
US-4376189-A Rubber compositions and method of treating rubber MONSANTO COMPANY (US) 1983-03-08 US disclosed