SCHEMBL6585913

SCHEMBL6585913

COc1ccc(C=O)cc1OCCOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.62
ALDH1A1 P00352 9/20 0.60
MAPT P10636 8/20 0.60
HPGD P15428 5/20 0.60
CYP2C9 P11712 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TSHR P16473 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
TTR P02766 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL24697057 0.95 FDPS (0.71) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL752160 0.88 ALDH1A1 (0.65) FDPSALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29377794 0.88 ALDH1A1 (0.65) FDPSALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6229249 0.85 FDPS (0.63) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL7661907 0.84 FDPS (0.86) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL13727944 0.84 ALDH1A1 (0.54) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL19658009 0.83 FDPS (0.65) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL15952102 0.83 TACR2 (0.60) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL15952860 0.83 FDPS (0.60) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL7545268 0.83 MAPT (0.60) FDPSALDH1A1MAPTHPGDCYP2C9

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 7 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
US-5747506-A Isoquinoline compounds, compositions containing them and their pharmaceutical uses NOVARTIS AG (CH) 1998-05-05 US disclosed
EP-0664289-A2 Isoquinolines SANDOZ LTD. (CH) 1995-07-26 EP disclosed