SCHEMBL4075781

SCHEMBL4075781

CCC(CC)Oc1ccc2c(O)c(C(=O)NCC(=O)O)ncc2c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 14/20 0.71
EGLN2 Q96KS0 15/20 0.58
THRA P10827 2/20 0.52
THRB P10828 2/20 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
SCHEMBL2181308 0.90 EGLN1 (0.72) EGLN1EGLN2
SCHEMBL4075987 0.88 EGLN1 (0.72) EGLN1EGLN2
SCHEMBL8141355 0.87 EGLN1 (0.71) EGLN1EGLN2THRATHRB
SCHEMBL523399 0.87 EGLN1 (0.71) EGLN1EGLN2THRATHRB
SCHEMBL8146957 0.85 EGLN1 (0.69) EGLN1EGLN2THRATHRB
SCHEMBL523170 0.83 EGLN1 (0.84) EGLN1EGLN2
SCHEMBL30274462 0.83 EGLN1 (0.84) EGLN1EGLN2
SCHEMBL522758 0.83 EGLN1 (0.84) EGLN1EGLN2THRATHRB
SCHEMBL522721 0.83 EGLN1 (0.84) EGLN1EGLN2
SCHEMBL3780901 0.83 EGLN1 (0.87) EGLN1EGLN2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1538160-B1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN INC (US) 2009-06-03 EP disclosed
EP-0911340-B1 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use FIBROGEN INC (US) 2005-07-06 EP disclosed
EP-1538160-A1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN, INC. (US) 2005-06-08 EP disclosed
US-6093730-A AN ENZYME INHIBITORS OF PROLYL-4-HYDROXYLASE FOR TREATING FIBROTIC DISORDERS AND INHIBITING COLLAGEN BIOSYNTHESIS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-07-25 US disclosed
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed