SCHEMBL28016338

SCHEMBL28016338

CCCCc1ccc2sc(SN)nc2c1CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
TYR P14679 1/20 0.33
TLR8 Q9NR97 1/20 0.31
CTRC Q99895 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL10475866 0.93 PTGS2 (0.35) PTGS2TYRTLR8CTRCHSP90AA1
SCHEMBL8901360 0.87 NPC1 (0.30)
Water SCHEMBL28140364 0.86
SCHEMBL27839569 0.85 TYR (0.33) PTGS2TYRTLR8CTRCHSP90AA1
SCHEMBL29683998 0.85 TYR (0.33) PTGS2TYRTLR8CTRCHSP90AA1
SCHEMBL583151 0.81 PTGS2 (0.41) PTGS2TLR8HSP90AA1HSP90AB1
SCHEMBL30305194 0.81 PTGS2 (0.41) PTGS2TLR8HSP90AA1HSP90AB1
SCHEMBL2671226 0.77 PTGS2 (0.45) PTGS2TLR8HSP90AA1HSP90AB1
SCHEMBL23174999 0.76 PTGS2 (0.47) PTGS2TLR8HSP90AA1HSP90AB1
SCHEMBL9237169 0.76 PTGS2 (0.47) PTGS2TLR8HSP90AA1HSP90AB1

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
CN-104558796-A High-temperature-resistant food-grade preservative film CHANGZHOU NUORUIGE NANO TECHNOLOGY CO LTD 2015-04-29 CN claimed
CN-104558796-A High-temperature-resistant food-grade preservative film CHANGZHOU NUORUIGE NANO TECHNOLOGY CO LTD 2015-04-29 CN disclosed