SCHEMBL9313640

SCHEMBL9313640

C=C1C(COC(C)=O)=C(C(=O)O)N2C(=O)[C@@H](OC)C2S1(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.52

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
SCHEMBL9313649 1.00 ELANE (0.52) ELANE
SCHEMBL9313660 1.00 ELANE (0.52) ELANE
SCHEMBL9150291 0.86 ELANE (0.64) ELANE
SCHEMBL9150283 0.86 ELANE (0.64) ELANE
SCHEMBL7273214 0.86 ELANE (0.64) ELANE
SCHEMBL7428703 0.86 ELANE (0.64) ELANE
SCHEMBL7272574 0.86 ELANE (0.64) ELANE
SCHEMBL9755495 0.85 ELANE (0.51) ELANE
SCHEMBL9755492 0.85 ELANE (0.51) ELANE
SCHEMBL7370675 0.75 ELANE (0.81) ELANE

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
US-5364848-A Elastase inhibitors MERCK & CO., INC. (US) 1994-11-15 US disclosed