SCHEMBL10568991

SCHEMBL10568991

CC(O)C1C(=O)N2C(C(=O)OCc3ccccc3)=C(Cl)CC12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.55
GPBAR1 Q8TDU6 6/20 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
SCHEMBL11042688 0.87 ELANE (0.55) ELANEGPBAR1
SCHEMBL11276416 0.87 ELANE (0.55) ELANEGPBAR1
SCHEMBL11277393 0.87 ELANE (0.55) ELANEGPBAR1
SCHEMBL10571626 0.84 ELANE (0.55) ELANEGPBAR1
SCHEMBL11335609 0.84 ELANE (0.48) ELANEGPBAR1
SCHEMBL9871688 0.84 ELANE (0.51) ELANEGPBAR1
SCHEMBL10572555 0.83 ELANE (0.54) ELANEGPBAR1
SCHEMBL11298690 0.82 ELANE (0.55) ELANEGPBAR1
SCHEMBL11003771 0.82 ELANE (0.52) ELANEGPBAR1
SCHEMBL11109337 0.82 ELANE (0.50) ELANEGPBAR1

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-4820817-A Process for preparing 3-substituted-6-substituted-7-oxo-1-azabicycl(3.2.0)-hept-2-ene-2-carboxylic acid MERCK & CO., INC. (US) 1989-04-11 US disclosed