SCHEMBL9635626

SCHEMBL9635626

CCC(CC1(C)CC(=O)c2ccc(O)cc2O1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
AKT1 P31749 2/20 0.48
MAPT P10636 1/20 0.44
HTR2C P28335 1/20 0.41
MAOB P27338 7/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 2/20 0.38
MALT1 Q9UDY8 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP19A1 P11511 1/20 0.36
PSMB5 P28074 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11369382 0.82 KDM4E (0.68) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL11105407 0.79 KDM4E (0.56) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL9635634 0.76 KDM4E (0.56) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL11112069 0.76 KDM4E (0.59) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL9635631 0.74 KDM4E (0.54) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL1983108 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHTR2CMAOB
SCHEMBL30132496 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHTR2CMAOB
SCHEMBL3029269 0.72 ALDH1A1 (0.66) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL11105391 0.71 KDM4E (0.56) KDM4EALDH1A1AKT1MAPTHTR2C
SCHEMBL9757008 0.71 BRD4 (0.33) KDM4EALDH1A1MAPTKMT2A

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 4 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-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