SCHEMBL4618707

SCHEMBL4618707

CCCCCCCCCCCOC(=O)c1cc(=O)c2c(OC)cccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL4251266 0.86 MAOB (0.56) MAOBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL30224991 0.86 MAOB (0.56) MAOBALDH1A1MAPTABCG2KDM4E
SCHEMBL5279035 0.86 MAOB (0.56) MAOBALDH1A1MAPTABCG2KDM4E
SCHEMBL26848553 0.85 GPR35 (0.65) MAOBALDH1A1MAPTABCG2KDM4E
SCHEMBL4253612 0.85 MAOB (0.57) MAOBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL13668750 0.84 ABCG2 (0.53) MAOBMAPTABCG2KDM4ECYP3A4
SCHEMBL4251481 0.81 ESR1 (0.51) MAOBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL26848551 0.81 GPR35 (0.67) MAOBALDH1A1MAPTABCG2KDM4E
SCHEMBL4248429 0.81 MAOB (0.58) MAOBALDH1A1MAPTKDM4EHSD17B10
SCHEMBL29393931 0.80 ALDH1A1 (0.57) ALDH1A1MAPTABCG2KDM4EHSD17B10

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-1890672-A1 USE OF CHROMONE DERIVATIVES Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006128562-A1 USE OF CHROMONE DERIVATIVES MERCK PATENT GMBH (DE) 2006-12-07 WO disclosed