SCHEMBL28675003

SCHEMBL28675003

CCOC(=O)CC(Cc1ccccc1)C(=S)S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
MME P08473 2/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
SLC15A1 P46059 2/20 0.44
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
PPID Q08752 1/20 0.43

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
SCHEMBL1244653 0.85 MEN1 (0.55) MMP8MMETSHRCYP1A2ALDH1A1
SCHEMBL8313296 0.85 CPA1 (0.62) MMP8MMECYP1A2SLC15A1CPA1
SCHEMBL20578281 0.84 CYP1A2 (0.49) MMECYP1A2ALDH1A1SLC15A1CPA1
SCHEMBL28567505 0.84 SLC15A1 (0.50) MMP8MMETSHRCYP1A2ALDH1A1
SCHEMBL11815481 0.81 SLC15A1 (0.48) MMP8MMETSHRCYP1A2ALDH1A1
SCHEMBL18065659 0.79 MMP8 (0.53) MMP8TSHRCYP1A2ALDH1A1EPHX2
SCHEMBL12268225 0.77 TRPA1 (0.53) MMP8TSHRALDH1A1PPARGMEN1
SCHEMBL5837006 0.77 TRPA1 (0.53) MMP8TSHRALDH1A1PPARGMEN1
SCHEMBL12446348 0.77 MMP8 (0.51) MMP8TSHRALDH1A1MEN1NPC1
SCHEMBL31448302 0.77 TRPA1 (0.53) MMP8TSHRALDH1A1PPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113474376-A Rubber latex and aqueous adhesive composition 电化株式会社 2021-10-01 CN disclosed