SCHEMBL9589397

SCHEMBL9589397

COC(=O)C(S)CCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 3/20 0.38
FOLH1 Q04609 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 3/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
LMNA P02545 2/20 0.32
SLC15A2 Q16348 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL28547684 0.84 PAOX (0.41) MMP1MMP13ALDH1A1CA1CA2
SCHEMBL7784845 0.83 TSHR (0.50) MMP1MMP13ALDH1A1FOLH1MGAM
SCHEMBL16320589 0.77 ALDH1A1 (0.40) MMP1MMP13ALDH1A1MGAMGAA
SCHEMBL2184012 0.77 ALDH1A1 (0.41) ALDH1A1FOLH1MGAMGAASI
SCHEMBL2131658 0.77
SCHEMBL17305959 0.76 ALDH1A1 (0.39) ALDH1A1MGAMGAASIMGAM2
SCHEMBL18124773 0.76 ALDH1A1 (0.39) ALDH1A1MGAMGAASIMGAM2
SCHEMBL685012 0.76 ALDH1A1 (0.39) ALDH1A1MGAMGAASIMGAM2
SCHEMBL20788778 0.76
SCHEMBL13192691 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5201936-A Substituted thieno[3,2-b]pyran-5,7-diones BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed