SCHEMBL9635486

SCHEMBL9635486

CCCOC(=O)c1cc(=O)c2c(O)c(Cl)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
MAPK1 P28482 1/20 0.55
AKR1B1 P15121 2/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 2/20 0.40
CREB1 P16220 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9635495 0.90 MAPK1 (0.67) MAOBMAPK1AKR1B1ALDH1A1KDM4E
SCHEMBL9752896 0.85 MAPK1 (0.61) MAOBMAPK1AKR1B1ALDH1A1KDM4E
SCHEMBL4255934 0.77 MAOB (0.68) MAOBMAPK1AKR1B1ALDH1A1KDM4E
SCHEMBL9635535 0.77 MAOB (0.72) MAOBAKR1B1ALDH1A1SMN1; SMN2ESR1
SCHEMBL9636924 0.77 ALDH1A1 (0.56) MAPK1AKR1B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21218308 0.76 MAPK1 (0.70) MAOBMAPK1AKR1B1ALDH1A1KDM4E
SCHEMBL4258065 0.74 MAOB (0.72) MAOBMAPK1AKR1B1ALDH1A1SMN1; SMN2
SCHEMBL4252382 0.72 MAOB (0.61) MAOBMAPK1AKR1B1ALDH1A1KDM4E
SCHEMBL4249673 0.72 MAOB (0.72) MAOBAKR1B1ALDH1A1KDM4EMEN1
SCHEMBL9757280 0.71 POLB (0.39) MAOBALDH1A1KDM4ESMN1; SMN2ESR1

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