SCHEMBL9752896

SCHEMBL9752896

CCOC(=O)c1cc(=O)c2c(O)c(Cl)ccc2o1.O=C(O)c1cc(=O)c2c(O)c(Cl)ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
MAOB P27338 3/20 0.58
AKR1B1 P15121 2/20 0.53
ALDH1A1 P00352 2/20 0.44
SLC2A1 P11166 1/20 0.43
ALOX5 P09917 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR35 Q9HC97 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 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
SCHEMBL9635495 0.95 MAPK1 (0.67) MAPK1MAOBAKR1B1ALDH1A1SLC2A1
SCHEMBL9636924 0.86 ALDH1A1 (0.56) MAPK1AKR1B1ALDH1A1KMT2AKDM4E
SCHEMBL9635486 0.85 MAOB (0.58) MAPK1MAOBAKR1B1ALDH1A1SLC2A1
SCHEMBL21218308 0.82 MAPK1 (0.70) MAPK1MAOBAKR1B1ALDH1A1SLC2A1
SCHEMBL4989157 0.75 MAOB (0.53) MAPK1MAOBAKR1B1SLC2A1KDM4E
SCHEMBL11192865 0.75 MAPK1 (0.54) MAPK1MAOBAKR1B1ALDH1A1SLC2A1
SCHEMBL116712 0.75 NPC1 (0.60) MAPK1MAOBAKR1B1SLC2A1MAPT
SCHEMBL11176135 0.74 MAOB (0.53) MAPK1MAOBAKR1B1ALDH1A1SLC2A1
SCHEMBL1503886 0.74 MAOB (1.00) MAPK1MAOBAKR1B1ALDH1A1SLC2A1
SCHEMBL3614948 0.73 RAB9A (0.62) ALDH1A1ALOX5KDM4EUSP2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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