SCHEMBL6863993

SCHEMBL6863993

CSc1ccc(C=O)cc1OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.49
ALDH1A1 P00352 10/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TRIM24 O15164 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
FDPS P14324 1/20 0.39
AOX1 Q06278 1/20 0.38
MAPT P10636 3/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TYR P14679 1/20 0.36
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL30845321 0.81 ALDH1A1 (0.63) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL9529019 0.81 ALDH1A1 (0.63) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL1713698 0.80 ALDH1A1 (0.57) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL28965218 0.77 ALDH1A3 (0.53) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL3431679 0.77 ALDH1A3 (0.53) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL2555670 0.76 ALDH1A1 (0.66) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL1159006 0.76 ALDH1A1 (0.72) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL20529376 0.76 ALDH1A3 (0.52) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL20490952 0.76 ALDH1A1 (0.52) ALDH1A3ALDH1A1TSHRHPGDTDP1
SCHEMBL31009671 0.76 ALDH1A1 (0.72) ALDH1A3ALDH1A1TSHRHPGDTDP1

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