SCHEMBL6584890

SCHEMBL6584890

COc1ccc(C=O)cc1OCC1CCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 1/20 0.60
PDE4B Q07343 9/20 0.57
FDPS P14324 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE4A P27815 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A3 P47895 1/20 0.48
AOX1 Q06278 1/20 0.47
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6584909 0.99 ALDH1A1 (0.58) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL9733843 0.97 ALDH1A1 (0.57) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL498127 0.95 ALDH1A1 (0.62) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL30352601 0.95 ALDH1A1 (0.62) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL2843045 0.92 FDPS (0.61) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL637014 0.90 FDPS (0.67) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL5451218 0.84 HPGD (0.59) ALDH1A1TSHRPDE4BFDPSALDH1A3
SCHEMBL6585016 0.83 FDPS (0.62) ALDH1A1TSHRPDE4BFDPSSMN1; SMN2
SCHEMBL1299518 0.83 HPGD (0.59) ALDH1A1TSHRFDPSSMN1; SMN2LMNA
SCHEMBL14834850 0.82 ALDH1A1 (0.45) ALDH1A1TSHRPDE4BFDPSMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed