SCHEMBL7106523

SCHEMBL7106523

C=CCc1ccc(S(=O)(O)=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
XDH P47989 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH2 P05091 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GABRA1 P14867 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL87584 0.84 TDP1 (0.55) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4132583 0.82 TDP1 (0.53) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
Ammonia Solution, Strong SCHEMBL6669195 0.82 TDP1 (0.53) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL636220 0.79 POLB (0.52) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7152853 0.77 ALDH1A1 (0.42) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4605045 0.76 CA2 (0.57) SMN1; SMN2MAPTCA1CA2CA5A
SCHEMBL7937162 0.76 CNR2 (0.45) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4132579 0.76 CNR2 (0.45) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11330497 0.76 ALDH1A1 (0.53) CNR2POLBALDH1A1SMN1; SMN2CYP3A4
Chavicol SCHEMBL1074731 0.76 XDH (0.48) CNR2POLBALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747350-B1 PROCESS FOR PRODUCING BIS(4-ALKYLTHIOPHENYL) DISULFIDE TORAY INDUSTRIES (JP) 2003-03-19 EP claimed
US-5986143-A Method of producing bis(4-alkylthiophenyl) disulfides TORAY INDUSTRIES, INC. (JP) 1999-11-16 US claimed
EP-0747350-A1 PROCESS FOR PRODUCING BIS(4-ALKYLTHIOPHENYL) DISULFIDE TORAY INDUSTRIES, INC. (JP) 1996-12-11 EP claimed
EP-0747350-B1 PROCESS FOR PRODUCING BIS(4-ALKYLTHIOPHENYL) DISULFIDE TORAY INDUSTRIES (JP) 2003-03-19 EP disclosed
US-5986143-A Method of producing bis(4-alkylthiophenyl) disulfides TORAY INDUSTRIES, INC. (JP) 1999-11-16 US disclosed
EP-0747350-A1 PROCESS FOR PRODUCING BIS(4-ALKYLTHIOPHENYL) DISULFIDE TORAY INDUSTRIES, INC. (JP) 1996-12-11 EP disclosed