SCHEMBL8196492

SCHEMBL8196492

CC(C)(C)OC(=O)N1COC(=O)[C@@H]1CSCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 1/20 0.44
KLK7 P49862 5/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.38
STS P08842 1/20 0.37
KLK5 Q9Y337 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PARP1 P09874 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL8640234 0.85 KLK7 (0.50) USP2KLK7STSKLK5MEN1
SCHEMBL3815087 0.85 KLK7 (0.50) USP2KLK7STSKLK5MEN1
SCHEMBL6371613 0.84 USP2 (0.61) SMN1; SMN2USP2NPC1RAB9ANPSR1
SCHEMBL6371611 0.84 USP2 (0.61) SMN1; SMN2USP2NPC1RAB9ANPSR1
SCHEMBL29096947 0.81 USP2 (0.49) USP2KLK7PPARASTSKLK5
SCHEMBL29096943 0.81 USP2 (0.49) USP2KLK7PPARASTSKLK5
SCHEMBL16578256 0.78 ALDH1A1 (0.35) SMN1; SMN2USP2MEN1KMT2APARP1
SCHEMBL16050161 0.78 USP2 (0.53) USP2KLK7KLK5MEN1KMT2A
SCHEMBL16050163 0.78 USP2 (0.53) USP2KLK7KLK5MEN1KMT2A
SCHEMBL16050314 0.78 USP2 (0.53) USP2KLK7KLK5MEN1KMT2A

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
US-6043278-A FORMULATION COMPRISING MIXTURE OF BETA-LACTAM ANTIBIOTIC AND PERFLUOROLOWERALKYL DERIVATIVE OF AMINO ACID ISIS INNOVATION LIMITED (GB) 2000-03-28 US disclosed