SCHEMBL4862284

SCHEMBL4862284

c1cc(CSCC2CO2)cc(CSCC2CS2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC11A2 P49281 1/20 0.30

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
SCHEMBL1402639 0.89 SLC11A2 (0.36) ACHEALDH1A1CYP3A4SMN1; SMN2SLC11A2
SCHEMBL1402656 0.89 ACHE (0.39) ACHEALDH1A1TP53CYP3A4TSHR
SCHEMBL4863527 0.87 HDAC1 (0.32)
SCHEMBL4854668 0.81 ACHE (0.32) ACHECYP3A4SMN1; SMN2SLC11A2
SCHEMBL4856518 0.81 TDP1 (0.32) ACHE
SCHEMBL2770432 0.81 ACHE (0.31) ACHEALDH1A1TP53CYP3A4TSHR
SCHEMBL2769392 0.78 QRFPR (0.32) ACHE
SCHEMBL10865471 0.77 CRBN (0.44) CYP3A4
SCHEMBL14209991 0.77 CRBN (0.44) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4865718 0.76

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
US-7354989-B2 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2008-04-08 US disclosed
US-20050124783-A1 Thioepoxy based polymerizable composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2005-06-09 US disclosed
EP-1484352-A1 THIOEPOXY BASED POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCTION THEREOF MITSUI CHEMICALS, INC. (JP) 2004-12-08 EP disclosed