SCHEMBL9635631

SCHEMBL9635631

CCOC(=O)CCC1(C)CC(=O)c2ccc(O)cc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 7/20 0.54
AKT1 P31749 2/20 0.49
KMT2A Q03164 1/20 0.47
HPGD P15428 5/20 0.45
GAA P10253 5/20 0.45
CASP1 P29466 4/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 1/20 0.42
HTR2C P28335 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL10639092 0.91 AKT1 (0.60) KDM4EALDH1A1AKT1KMT2AHPGD
SCHEMBL9511642 0.83 KDM4E (0.50) KDM4EALDH1A1AKT1KMT2AHPGD
SCHEMBL11369382 0.80 KDM4E (0.68) KDM4EALDH1A1AKT1KMT2AMAPT
SCHEMBL11112069 0.79 KDM4E (0.59) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL6947170 0.78 ALDH1A1 (0.49) KDM4EALDH1A1AKT1KMT2AHPGD
SCHEMBL10638905 0.78 PPARG (0.49) KDM4EALDH1A1AKT1KMT2AHPGD
SCHEMBL10371731 0.77 AKT1 (0.39) KDM4EALDH1A1AKT1KMT2AHPGD
SCHEMBL10695261 0.77 BRD4 (0.50) KDM4EALDH1A1HPGDGAACASP1
SCHEMBL10638595 0.76 KDM4E (0.39) KDM4EALDH1A1KMT2AHPGDGAA
SCHEMBL10344387 0.76 BRD4 (0.49) KDM4EALDH1A1HPGDGAACASP1

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
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
US-4788214-A ANTIALLERGENS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4785017-A ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1988-11-15 US disclosed