SCHEMBL7004236

SCHEMBL7004236

CCOC(=O)c1c(O)c2cc(=O)c(OCc3ccccc3)cc-2cn1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
PPARG P37231 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PTGER1 P34995 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
F2RL3 Q96RI0 1/20 0.37
HPGD P15428 1/20 0.37
PPIA P62937 2/20 0.37
MAOB P27338 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7003191 0.91 HPGD (0.41) MAPTALDH1A1PTGER1LMNAHPGD
SCHEMBL7003666 0.90 PPARG (0.41) MMP2PPARGMAPTALDH1A1GAA
SCHEMBL7560338 0.88 CRHBP (0.43) MMP2PPARGCRHBPCRHR2MAPT
SCHEMBL7556080 0.88 CRHBP (0.43) MMP2CRHBPCRHR2MAPTPTGER1
SCHEMBL7004596 0.81 PTGER1 (0.39) PTGER1MRGPRX4
SCHEMBL7003154 0.79 PTPN11 (0.37) MAPTALDH1A1GAALMNAHPGD
SCHEMBL7560366 0.75 PTGER1 (0.37) PTGER1
SCHEMBL5238135 0.69 NMT1 (0.47) PPARGALDH1A1LMNAL3MBTL1MAOB
SCHEMBL5235815 0.69 NMT1 (0.49) PPARGALDH1A1LMNAL3MBTL1MAOB
SCHEMBL28437380 0.68 NPC1 (0.50) PPARGGAALMNAL3MBTL1PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed