SCHEMBL7358221

SCHEMBL7358221

COc1ccc(C=O)cc1CC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
TSHR P16473 1/20 0.51
FDPS P14324 1/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
AOX1 Q06278 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
ALDH1A3 P47895 1/20 0.44
TRIM24 O15164 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL497931 0.94 ALDH1A1 (0.54) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL8236716 0.82 ALDH1A1 (0.45) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL20456442 0.82 ALDH1A1 (0.54) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL6584909 0.78 ALDH1A1 (0.58) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL2432443 0.77 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL29957052 0.77 ALDH1A1 (0.66) ALDH1A1TSHRFDPSHPGDCYP1A2
SCHEMBL9733843 0.77 ALDH1A1 (0.57) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL2843045 0.77 FDPS (0.61) ALDH1A1TSHRFDPSHPGDPOLB
SCHEMBL6584890 0.77 ALDH1A1 (0.60) ALDH1A1TSHRFDPSHPGDAOX1
SCHEMBL28020395 0.75 RARB (0.54) ALDH1A1HPGDPOLBAOX1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP 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-0696276-A1 N-ACYL SUBSTITUTED PHENYL PIPERIDINES AS BRONCHODILATORS AND ANTI-INFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-02-14 EP disclosed
US-5459151-A N-acyl substituted phenyl piperidines as bronchodilators and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
WO-1994025437-A1 N-ACYL SUBSTITUTED PHENYL PIPERIDINES AS BRONCHODILATORS AND ANTI-INFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-10 WO disclosed