SCHEMBL10617418

SCHEMBL10617418

COC(=O)c1cc2c(cc1-c1c(C(=O)OC)c(C)nc(C)c1C(=O)OC)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NR3C2 P08235 1/20 0.40
▸ TARBP2 Q15633 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
SCHEMBL10619132 0.86 HPGD (0.48) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL10620227 0.79 KDM4E (0.52) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL10620352 0.78 KDM4E (0.45) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL7377635 0.76 KDM4E (0.61) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL10617810 0.76 TARBP2 (0.45) ALDH1A1KDM4EHPGDATMTDP1
SCHEMBL10617220 0.75 KDM4E (0.42) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL14108191 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL10617208 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDATMHSD17B10
SCHEMBL22256473 0.72 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL22256429 0.71 KDM4E (0.42) ALDH1A1KDM4EHPGDATMHSD17B10

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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