SCHEMBL8507242

SCHEMBL8507242

O=C(NCc1ccc(O)c(O)c1)c1csc(C(=O)NCc2ccc(O)c(O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 13/20 0.62
ERCC4 Q92889 13/20 0.62
ALPG P10696 1/20 0.49
ALPL P05186 1/20 0.48
MMP12 P39900 2/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL8507183 0.80 ERCC1 (0.62) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL107157 0.80 ERCC1 (0.76) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL6178238 0.78 HPGD (0.68)
SCHEMBL175299 0.72 ERCC1 (0.66) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL107288 0.72 ERCC1 (0.66) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL14081427 0.71 ERCC1 (0.60) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL8269527 0.70 KDM4E (0.69) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL107165 0.70 ERCC1 (0.73) ERCC1ERCC4TRPV1
SCHEMBL8483573 0.69 ERCC1 (0.59) ERCC1ERCC4ALPGALPLTRPV1
SCHEMBL23796256 0.69 ERCC1 (0.63) ERCC1ERCC4ALPGALPL

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-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed