SCHEMBL11198541

SCHEMBL11198541

C=CCSSc1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
CYP3A4 P08684 3/20 0.37
ALOX15 P16050 3/20 0.37
TRPA1 O75762 2/20 0.37
ACHE P22303 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.33
GMNN O75496 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
CA3 P07451 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL4157483 0.86 ALDH1A1 (0.46) ALDH1A1HPGDCYP3A4ALOX15TRPA1
SCHEMBL79979 0.84 MEN1 (0.41) ALDH1A1HPGDCYP3A4ALOX15ACHE
SCHEMBL3262579 0.74 TRPA1 (0.41) ALDH1A1HPGDTRPA1ACHEL3MBTL1
SCHEMBL3494510 0.74 TSHR (0.38) ALDH1A1HPGDCYP3A4ALOX15L3MBTL1
SCHEMBL3956783 0.73 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4ALOX15L3MBTL1
SCHEMBL10639464 0.73 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4ALOX15TRPA1
SCHEMBL10351891 0.72 MEN1 (0.48) ALDH1A1HPGDCYP3A4ALOX15TRPA1
SCHEMBL10430629 0.72 L3MBTL1 (0.34) ALDH1A1HPGDALOX15ACHEL3MBTL1
Diallyldisulfide SCHEMBL28956854 0.71 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4ALOX15TRPA1
Diallyldisulfide SCHEMBL668587 0.71 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4ALOX15TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4394476-A POLYMERS, BUTADIENE-STYRENE COPOLYMER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-07-19 US disclosed
US-4394476-A POLYMERS, BUTADIENE-STYRENE COPOLYMER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-07-19 US disclosed
EP-0060799-A1 Diester antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-09-22 EP disclosed
EP-0060799-A1 Diester antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-09-22 EP disclosed