SCHEMBL8664410

SCHEMBL8664410

O=C1OCNC1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
CACNA1G O43497 4/20 0.48
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
SLC22A1 O15245 1/20 0.42
PRCP P42785 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTRB1 P17538 1/20 0.40

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
SCHEMBL4757414 0.83 HDAC8 (0.47) HDAC8CACNA1GSLC22A1PRCP
SCHEMBL8181399 0.83 CACNA1G (0.44) HDAC8CACNA1GMAPT
SCHEMBL8185559 0.79 HTR1A (0.46) MAPTALDH1A1
SCHEMBL9142562 0.76 CYP3A4 (0.49) HDAC8CACNA1GCYP3A4CYP2C19CYP2D6
SCHEMBL20977566 0.76 CACNA1G (0.39) HDAC8CACNA1GMAPT
SCHEMBL5218486 0.75 CACNA1G (0.41) CACNA1GCYP3A4CYP2C19CYP2D6MAPT
SCHEMBL20977455 0.75 CACNA1G (0.43) CACNA1G
SCHEMBL13446662 0.73 CACNA1G (0.56) HDAC8CACNA1GCYP3A4CYP2C19CYP2D6
SCHEMBL18978514 0.73 HDAC8 (0.45) HDAC8SLC22A1PRCPCYP3A4CYP2C19
SCHEMBL1317448 0.73 CACNA1G (0.56) HDAC8CACNA1GCYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879053-A1 USE OF AN ANTAGONIST OF PPAR-ALPHA AND PPAR-GAMMA FOR THE TREATMENT OF SYNDROM X SMITHKLINE BEECHAM PLC (GB) 1998-11-25 EP disclosed
WO-1997025042-A1 USE OF AN AGONIST OF PPAR-ALPHA AND PPAR-GAMMA FOR THE TREATMENT OF SYNDROM X SMITHKLINE BEECHAM P.L.C. (GB) 1997-07-17 WO disclosed
WO-1996004261-A1 BENZOXAZOLES AND PRYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF THE TYPE II DIABETES SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed