SCHEMBL7784845

SCHEMBL7784845

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SLC1A1 P43005 1/20 0.42
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
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 2/20 0.35

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
SCHEMBL9589397 0.83 MMP1 (0.41) TSHRMMP1MMP13HSD17B10LMNA
SCHEMBL10929135 0.79
SCHEMBL2865042 0.77
SCHEMBL2131658 0.77
SCHEMBL8576325 0.77 TSHR (0.44) TSHRMMP1MMP13HSD17B10KMT2A
SCHEMBL8686256 0.77 TSHR (0.55) TSHRSLC1A1HSD17B10KMT2AMEN1
SCHEMBL16388417 0.77 TSHR (0.55) TSHRSLC1A1HSD17B10KMT2AMEN1
SCHEMBL29926745 0.77 TSHR (0.44) TSHRMMP1MMP13HSD17B10KMT2A
SCHEMBL16300949 0.76 TSHR (0.52) TSHRSLC1A1HSD17B10KMT2AMEN1
SCHEMBL17055793 0.76 TSHR (0.52) TSHRSLC1A1HSD17B10KMT2AMEN1

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
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed