SCHEMBL11697185

SCHEMBL11697185

C=CS(=O)(=O)/C=C/Sc1ccc(CC)cc1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11697189 1.00 ALOX5 (0.31) ALOX5PTGS1PTGS2NPC1ALDH1A1
SCHEMBL26062395 0.77 TRPA1 (0.35) ALOX5PTGS1PTGS2NPC1ALDH1A1
SCHEMBL11698627 0.76 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL11695304 0.69 LMNA (0.33) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL11695308 0.69 LMNA (0.33) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL575394 0.68 SLC6A2 (0.41) ALOX5PTGS1PTGS2NPC1ALDH1A1
SCHEMBL575559 0.68 TRPA1 (0.41) ALOX5PTGS1PTGS2NPC1ALDH1A1
SCHEMBL11694622 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11694627 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12303991 0.66 TRPA1 (0.40) ALOX5PTGS1PTGS2NPC1ALDH1A1

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
US-4031247-A Fungicidal vinyl 2-substituted-thiovinyl sulfones CHEVRON RESEARCH COMPANY (US) 1977-06-21 US disclosed
US-3988376-A FUNGICIDES, ALGICIDES CHEVRON RESEARCH COMPANY (US) 1976-10-26 US disclosed