SCHEMBL5717818

SCHEMBL5717818

Cc1cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(C)cc(NC(C)C)c4)c(Cl)c3)cc2Cl)cc(NC(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 4/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GCGR P47871 1/20 0.33
PLAU P00749 1/20 0.33
LMNA P02545 2/20 0.32
TAOK1 Q7L7X3 1/20 0.32
TAOK3 Q9H2K8 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL5718183 0.93 KMT2A (0.33) HSD17B10ALDH1A1GAAKDM4EKMT2A
SCHEMBL5717924 0.91 LMNA (0.37) HSD17B10ALDH1A1GAAKDM4EKMT2A
SCHEMBL5722487 0.90 ALDH1A1 (0.35) HSD17B10ALDH1A1GAAKDM4EKMT2A
SCHEMBL5717908 0.90 ALDH1A1 (0.35) HSD17B10ALDH1A1GAAKDM4EKMT2A
SCHEMBL5722493 0.90 SENP5 (0.35) ALDH1A1GAAKDM4EKMT2APKM
SCHEMBL5717907 0.90 MAPT (0.35) HSD17B10ALDH1A1GAAKDM4EKMT2A
SCHEMBL5717845 0.88 MRGPRX4 (0.38) MRGPRX4
SCHEMBL5718006 0.88 PLAU (0.40) ALDH1A1KMT2APKMPLAULMNA
SCHEMBL5722638 0.88 MAPK1 (0.37) HSD17B10ALDH1A1GAAKDM4EKMT2A
SCHEMBL5717816 0.87 THRA (0.36) HSD17B10ALDH1A1GAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed