SCHEMBL9385648

SCHEMBL9385648

O=C(OCc1ccc(C(=O)O)cc1)C1=CS[C@@H]2CC(=O)N12

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.47

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
SCHEMBL9385650 1.00 ELANE (0.47) ELANE
SCHEMBL9390111 0.89 ELANE (0.59) ELANE
SCHEMBL9390114 0.89 ELANE (0.59) ELANE
SCHEMBL9385789 0.88 ELANE (0.43) ELANE
SCHEMBL9385796 0.88 ELANE (0.43) ELANE
SCHEMBL9384795 0.85 ELANE (0.44) ELANE
SCHEMBL4965365 0.83 TDP1 (0.47)
SCHEMBL6399324 0.83 TDP1 (0.47)
SCHEMBL6399327 0.83 TDP1 (0.47)
SCHEMBL10946733 0.75

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-1994003168-A1 5 S PENEM DERIVATIVES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 1994-02-17 WO disclosed