SCHEMBL9635489

SCHEMBL9635489

CCOC(=O)c1cc(=O)c2ccc(CBr)cc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.72
SLC2A1 P11166 1/20 0.61
MAOB P27338 2/20 0.60
KDM4E B2RXH2 3/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
KMT2A Q03164 5/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TNKS O95271 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8827849 0.91 AKR1B1 (0.78) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL10463821 0.90 MAOB (0.70) AKR1B1SLC2A1MAOBCYP4F2CYP4A11
SCHEMBL8123206 0.87 AKR1B1 (0.72) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL8117451 0.85 AKR1B1 (0.78) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL29495537 0.84 AKR1B1 (1.00) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL1021783 0.84 AKR1B1 (1.00) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL4250015 0.84 AKR1B1 (0.76) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL6339410 0.83 MAOB (0.81) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL6332284 0.83 AKR1B1 (0.74) AKR1B1SLC2A1MAOBKDM4EKMT2A
SCHEMBL2254319 0.82 CYP4F2 (0.52) AKR1B1MAOBKDM4ECYP4F2CYP4A11

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
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed