SCHEMBL9635634

SCHEMBL9635634

CCC(CC(=O)O)C1(C)CC(=O)c2ccc(O)cc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.44
HTR2C P28335 1/20 0.41
AKT1 P31749 1/20 0.41
MAOB P27338 9/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 2/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
CYP19A1 P11511 2/20 0.36
PSMB5 P28074 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL11105391 0.79 KDM4E (0.56) KDM4EALDH1A1MAPTHTR2CAKT1
SCHEMBL9635626 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTHTR2CAKT1
SCHEMBL11369382 0.74 KDM4E (0.68) KDM4EALDH1A1MAPTHTR2CAKT1
SCHEMBL30132496 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHTR2CMAOB
SCHEMBL1983108 0.73 ALDH1A1 (1.00) KDM4EALDH1A1MAPTHTR2CMAOB
SCHEMBL3029269 0.72 ALDH1A1 (0.66) KDM4EALDH1A1MAPTHTR2CAKT1
SCHEMBL9757015 0.71 ALDH1A1 (0.35) KDM4EALDH1A1MAPTKMT2AHSD17B10
SCHEMBL27766391 0.69 KDM4E (0.65) KDM4EALDH1A1MAPTHTR2CAKT1
SCHEMBL11105407 0.69 KDM4E (0.56) KDM4EALDH1A1MAPTHTR2CAKT1
Resorcinol SCHEMBL7096097 0.69 ALDH1A1 (0.88) KDM4EALDH1A1MAPTHTR2CMAOB

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