SCHEMBL9861383

SCHEMBL9861383

Cc1ccc(-c2ccc(CSOS(=O)(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.41
ACHE P22303 10/20 0.41
IDO1 P14902 2/20 0.40
RECQL P46063 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL9861031 0.95 BCHE (0.44) BCHEACHEIDO1RECQLCA1
SCHEMBL9861771 0.81 IDO1 (0.43) IDO1CA2ALDH1A1LMNAHPGD
SCHEMBL10857016 0.77 POLB (0.38) ALDH1A1LMNAHPGD
SCHEMBL5078812 0.77 CYP2C19 (0.40) BCHEACHEIDO1CA1CA2
SCHEMBL9860976 0.77 BCHE (0.48) BCHEACHECA1CA2CA9
SCHEMBL9860988 0.76 BCHE (0.46) BCHEACHEIDO1RECQLCA1
SCHEMBL9861772 0.75 TAAR1 (0.47) IDO1ALDH1A1LMNAKMT2A
SCHEMBL10708916 0.75 CYP2C19 (0.39) BCHEACHEIDO1CA1CA2
SCHEMBL10709455 0.75 CYP2C19 (0.39) BCHEACHEIDO1CA1CA2
SCHEMBL9861500 0.74 CYP1A2 (0.51) ALDH1A1GAALMNAKMT2A

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