SCHEMBL6204567

SCHEMBL6204567

COc1c(C)ccc2[nH]c(=O)c(C(=O)N(C)c3ccc(C(F)(F)F)cc3)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
GPBAR1 Q8TDU6 3/20 0.38
MCHR1 Q99705 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
MLYCD O95822 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM5A P29375 1/20 0.32
SERPINE1 P05121 1/20 0.32
LIPE Q05469 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL7828560 0.88 GPBAR1 (0.40) HDAC4GPBAR1ARSMN1; SMN2SERPINE1
SCHEMBL7828963 0.87 MAPT (0.38) HDAC4MCHR1ALDH1A1MAPTMLYCD
SCHEMBL7593043 0.83 HDAC4 (0.42) HDAC4GPBAR1ALDH1A1MAPTTLR7
SCHEMBL14376042 0.83 HDAC4 (0.65) HDAC4GPBAR1MCHR1TLR7L3MBTL1
SCHEMBL7562731 0.78 HDAC4 (0.50) HDAC4GPBAR1MCHR1ALDH1A1MAPT
SCHEMBL7558781 0.77 MAPT (0.40) GPBAR1MAPTKDM5A
SCHEMBL7559768 0.77 MAPT (0.48) GPBAR1MAPT
SCHEMBL7564002 0.76 HSP90AA1 (0.40) HDAC4GPBAR1ALDH1A1MAPT
SCHEMBL7565085 0.76 KDM4E (0.40) ALDH1A1MAPTSMN1; SMN2
SCHEMBL11983213 0.76 L3MBTL1 (0.53) HDAC4GPBAR1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511732-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES Active Biotech AB (SE) 2005-03-09 EP claimed
WO-2003106424-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2003-12-24 WO claimed
EP-1095021-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-02 EP claimed
WO-2000003991-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO claimed
EP-1511732-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES Active Biotech AB (SE) 2005-03-09 EP disclosed
WO-2003106424-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2003-12-24 WO disclosed
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed