SCHEMBL10620352

SCHEMBL10620352

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ TARBP2 Q15633 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ NPC1 O15118 6/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ GAA P10253 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 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
SCHEMBL10617810 0.90 TARBP2 (0.45) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10617220 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10617162 0.87 KDM4E (0.37) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10619244 0.86 NR3C2 (0.36) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10621940 0.85 TSHR (0.37) KDM4EALDH1A1HPGDNR3C2KMT2A
SCHEMBL10617286 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2ABCG2
SCHEMBL10620227 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10617418 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10617208 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HPGDATMSMN1; SMN2
SCHEMBL10619132 0.77 HPGD (0.48) KDM4EALDH1A1HPGDATMSMN1; SMN2

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
Send feedback