SCHEMBL10619244

SCHEMBL10619244

COC(=O)c1c(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OCCCN(C)C)ccc2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.36
▸ GAA P10253 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ EGFR P00533 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL10617162 0.94 KDM4E (0.37) NR3C2GAAMAPK1HSD17B10KDM4E
SCHEMBL10620352 0.86 KDM4E (0.45) NR3C2GAAMAPK1HSD17B10KDM4E
SCHEMBL10621777 0.84 ALDH1A1 (0.37) NR3C2GAAMAPK1HSD17B10KDM4E
SCHEMBL10617286 0.84 ALDH1A1 (0.44) GAAMAPK1KDM4EALDH1A1HPGD
SCHEMBL10621940 0.82 TSHR (0.37) NR3C2KDM4EEGFRPDGFRBFGFR1
SCHEMBL10617234 0.78 ALDH1A1 (0.38) NR3C2GAAMAPK1HSD17B10KDM4E
SCHEMBL10617810 0.77 TARBP2 (0.45) NR3C2GAAKDM4EALDH1A1HPGD
SCHEMBL10617220 0.76 KDM4E (0.42) NR3C2GAAMAPK1HSD17B10KDM4E
SCHEMBL10620291 0.74 GAA (0.54) GAAMAPK1HSD17B10KDM4EALDH1A1
SCHEMBL6957618 0.73 ADORA3 (0.41) NR3C2GAAMAPK1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285267-A2 Pyridine derivatives for treatment and prevention of liver damage, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-10-05 — — EP disclosed
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