SCHEMBL8809346

SCHEMBL8809346

C=C1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=CS[C@H]12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL8807243 0.80 MMP1 (0.43) MMP9MMP1ELANE
SCHEMBL8888422 0.80 MMP1 (0.43) MMP9MMP1ELANE
SCHEMBL2923216 0.80 MMP1 (0.43) MMP9MMP1ELANE
SCHEMBL7172605 0.80 MMP1 (0.43) MMP9MMP1ELANE
SCHEMBL8807239 0.80 MMP1 (0.43) MMP9MMP1ELANE
SCHEMBL9384795 0.78 ELANE (0.44) MMP9MMP1ELANE
SCHEMBL8810562 0.77 MMP1 (0.43) MMP9MMP1CASP3KMT2ASENP8
SCHEMBL8810870 0.77 MMP1 (0.43) MMP9MMP1CASP3KMT2ASENP8
SCHEMBL8810567 0.77 MMP1 (0.43) MMP9MMP1CASP3KMT2ASENP8
SCHEMBL8806989 0.76 MMP1 (0.42) MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232966-B1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1997-10-08 EP disclosed
EP-0232966-A1 Process for the preparation of penem compounds and intermediates for this preparation BEECHAM GROUP PLC (GB) 1987-08-19 EP disclosed