SCHEMBL7424415

SCHEMBL7424415

COc1ccc(C(C#N)(CCC(=O)O)CCC(=O)O)cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE4B Q07343 17/20 0.48
PDE4A P27815 6/20 0.48
PDE4C Q08493 6/20 0.48
PDE4D Q08499 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7858782 0.90 CASP1 (0.49) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL7866895 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7384417 0.86 HSD17B10 (0.66) CASP1HSD17B10L3MBTL1
SCHEMBL5703639 0.83 PDE4B (0.50) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL11099776 0.80 HSD17B10 (0.51) CASP1HSD17B10L3MBTL1
SCHEMBL7865357 0.80 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7421932 0.79 CASP1 (0.53) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL11830247 0.77 CASP1 (0.54) CASP1HSD17B10L3MBTL1
SCHEMBL6584961 0.76 PDE4B (0.44) CASP1HSD17B10PDE4BPDE4APDE4C
SCHEMBL5498121 0.76 PDE4B (0.45) CASP1HSD17B10PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP disclosed
EP-0633775-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND FOR INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2000-05-31 EP disclosed
US-5811455-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1998-09-22 US disclosed
US-5631286-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP disclosed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed