SCHEMBL7336609

SCHEMBL7336609

COc1ccc(C(=O)O)cc1OC1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.78
PDE4B Q07343 10/20 0.78
PDE4A P27815 9/20 0.78
PDE4C Q08493 8/20 0.78
MAPK14 Q16539 1/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
TPMT P51580 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
KMT2A Q03164 1/20 0.60

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
SCHEMBL9005494 1.00 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL30009845 0.98 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL1028427 0.98 PDE4B (0.80) PDE4DPDE4BPDE4APDE4CMAPK14
Hydrochloric Acid SCHEMBL6586041 0.97 PDE4B (0.78) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL6799815 0.93 PDE4B (0.71) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL28846183 0.92 PDE4B (0.70) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL16544966 0.90 PDE4B (0.67) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL27472680 0.88 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7444846 0.87 PDE4A (1.00) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7336558 0.87 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0497564-B1 Benzamides RHONE POULENC RORER LTD (GB) 1995-12-27 EP disclosed
EP-0669311-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1995-08-30 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
EP-0569414-A1 BENZAMIDES RHONE-POULENC RORER LIMITED (GB) 1993-11-18 EP disclosed
WO-1992012961-A1 BENZAMIDES RHONE POULENC RORER LIMITED (GB) 1992-08-06 WO disclosed
EP-0497564-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1992-08-05 EP disclosed