SCHEMBL10617810

SCHEMBL10617810

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc2c(c1OC)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TARBP2 Q15633 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ NR3C2 P08235 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ NQO2 P16083 1/20 0.35

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
SCHEMBL10620352 0.90 KDM4E (0.45) TARBP2KDM4EHPGDALDH1A1ATM
SCHEMBL10617220 0.87 KDM4E (0.42) TARBP2KDM4EHPGDALDH1A1ATM
SCHEMBL10617162 0.79 KDM4E (0.37) TARBP2KDM4EHPGDALDH1A1ATM
SCHEMBL10619132 0.78 HPGD (0.48) KDM4EHPGDALDH1A1ATMSMN1; SMN2
SCHEMBL10619244 0.77 NR3C2 (0.36) KDM4EHPGDALDH1A1ATMSMN1; SMN2
SCHEMBL10621940 0.77 TSHR (0.37) KDM4EHPGDALDH1A1NR3C2MEN1
SCHEMBL10617418 0.76 ALDH1A1 (0.49) TARBP2KDM4EHPGDALDH1A1ATM
SCHEMBL10620227 0.76 KDM4E (0.52) KDM4EHPGDALDH1A1ATMSMN1; SMN2
SCHEMBL10617208 0.76 ALDH1A1 (0.44) TARBP2KDM4EHPGDALDH1A1ATM
SCHEMBL10617286 0.73 ALDH1A1 (0.44) KDM4EHPGDALDH1A1SMN1; SMN2ABCG2

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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