SCHEMBL9860936

SCHEMBL9860936

CCc1ccc(CC)c(CSOS(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL9861771 0.82 IDO1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL9861031 0.71 BCHE (0.44) ALDH1A1MAPTKMT2ACA2GAA
SCHEMBL444673 0.71 TRPA1 (0.48) TRPA1ALDH1A1MAPTNPC1LMNA
SCHEMBL9861772 0.70 TAAR1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9860933 0.70 TRPA1 (0.35) TRPA1ALDH1A1MAPTNPC1LMNA
SCHEMBL10857016 0.68 POLB (0.38) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL606611 0.68 TRPA1 (0.46) TRPA1ALDH1A1MAPTNPC1LMNA
SCHEMBL9860976 0.68 BCHE (0.48) ALDH1A1CA2
SCHEMBL9861014 0.68 HMGCR (0.36) ALDH1A1
SCHEMBL9861105 0.68 SLC2A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed