SCHEMBL7110666

SCHEMBL7110666

COc1ccc(C=O)cc1OC1C(=O)C2C=CC1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 1/20 0.51
FDPS P14324 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
TTR P02766 1/20 0.40
ALDH1A3 P47895 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4B Q07343 6/20 0.38
PLIN1 O60240 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7431497 0.79 CA12 (0.52) TSHRTTRLMNAHTTPDE4B
SCHEMBL5905620 0.75 ALDH1A1 (0.51) ALDH1A1TSHRFDPSTDP1AOX1
SCHEMBL7298015 0.75 ALDH1A1 (0.51) ALDH1A1TSHRFDPSTDP1AOX1
SCHEMBL7361953 0.74 ALDH1A1 (0.54) ALDH1A1TSHRFDPSTDP1AOX1
SCHEMBL22713946 0.72 ALDH1A1 (0.68) ALDH1A1TSHRFDPSTDP1AOX1
SCHEMBL6883557 0.71 ALDH1A1 (0.66) ALDH1A1TSHRFDPSPDE4B
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.71 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTDP1AOX1
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.71 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTDP1AOX1
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.71 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTDP1AOX1
3,4-Dimethoxybenzaldehyde SCHEMBL29364994 0.71 ALDH1A1 (1.00) ALDH1A1TSHRFDPSTDP1AOX1

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-0652868-B1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2004-11-10 EP disclosed
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
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