SCHEMBL9537844

SCHEMBL9537844

CC(=O)OC/C(C)=C1/C(=O)N2C(C(=O)O)=CS[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9537931 0.83
SCHEMBL9538708 0.82
SCHEMBL9538918 0.82
SCHEMBL9537881 0.76
SCHEMBL9324400 0.73
SCHEMBL8806239 0.70
SCHEMBL9538728 0.70 KDM4E (0.34) KDM4ETSHRHSD17B10TDP1
SCHEMBL9538734 0.70 KDM4E (0.34) KDM4ETSHRHSD17B10TDP1
SCHEMBL6731795 0.70
Water SCHEMBL10644392 0.69

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
WO-1993003042-A1 6-ETHYLIDENE PENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed