SCHEMBL7418541

SCHEMBL7418541

OCc1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.52
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TTR P02766 2/20 0.41
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL31681723 0.89 CA2 (0.48) PDE4ATTRNPC1POLBRAB9A
SCHEMBL5026284 0.89 CA2 (0.48) PDE4ATTRNPC1POLBRAB9A
SCHEMBL16955648 0.86 HTT (0.49) PDE4APDE4BPDE4CPDE4DCYP4F2
SCHEMBL7869796 0.86 DRD1 (0.46) PDE4APDE4BPDE4CPDE4DCYP4F2
SCHEMBL5761057 0.85 PDE4D (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL22981677 0.85 CYP4F2 (0.56) PDE4ACYP4F2CYP4A11
SCHEMBL16953563 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCYP4F2
SCHEMBL30640919 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCYP4F2
SCHEMBL3125593 0.85 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL16958146 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636026-B1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORP (US) 2001-12-05 EP disclosed
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 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
US-5605923-A Compounds useful for treating inflammatory diseases and inhibiting production of tumor necrosis factor SMITHKLINE BEECHAM CORPORATION (US) 1997-02-25 US disclosed
US-5449686-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1995-09-12 US disclosed
EP-0636026-A4 1995-02-22 EP disclosed
EP-0636025-A4 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES. 1995-02-22 EP disclosed
EP-0636026-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
EP-0636025-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-02-01 EP disclosed
WO-1993019751-A1 COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES AND INHIBITING PRODUCTION OF TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed
WO-1993019750-A1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-10-14 WO disclosed