SCHEMBL5718237

SCHEMBL5718237

CCCNc1cc(C)cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(C)cc(NCCC)c4F)c(Cl)c3)cc2Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
RIN1 Q13671 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL5718280 0.92 KMT2A (0.34) HSD17B10KMT2AALDH1A1PKMMAPT
SCHEMBL5718235 0.89 ALDH1A1 (0.34) HSD17B10KMT2AALDH1A1MAPTMEN1
SCHEMBL5722840 0.89 ALDH1A1 (0.38) HSD17B10KMT2AALDH1A1MAPK1HTT
SCHEMBL5717860 0.89 KMT2A (0.33) HSD17B10KMT2AALDH1A1MAPK1HTT
SCHEMBL5717871 0.88 KMT2A (0.38) HSD17B10KMT2AALDH1A1MAPK1HTT
SCHEMBL5722588 0.88 ALDH1A1 (0.35) KMT2AALDH1A1MAPK1HTTPKM
SCHEMBL5717864 0.87 KMT2A (0.33) HSD17B10KMT2AALDH1A1MAPK1HTT
SCHEMBL4931285 0.87 ALDH1A1 (0.37) HSD17B10KMT2AALDH1A1MAPK1HTT
SCHEMBL5722776 0.86 THRB (0.38) KMT2AALDH1A1MAPK1HTTPKM
SCHEMBL5717920 0.85 KMT2A (0.35) HSD17B10KMT2AALDH1A1PKMMAPT

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