SCHEMBL5543818

SCHEMBL5543818

CCC(CC(=O)Nc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37
ATAD2 Q6PL18 1/20 0.37

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
SCHEMBL4513595 0.85 HSD11B1 (0.46) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4510127 0.84 HSD11B1 (0.47) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4527041 0.83 LMNA (0.46) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4516607 0.83 HSD11B1 (0.44) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4514812 0.82 ALDH1A1 (0.46) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13674559 0.81 HSD11B1 (0.43) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4511944 0.81 HSD11B1 (0.52) HSD11B1ALDH1A1HPGDKDM4EMEN1
SCHEMBL4513744 0.81 HSD11B1 (0.43) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4505773 0.81 NPC1 (0.53) HSD11B1ALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4515008 0.80 HSD11B1 (0.42) HSD11B1ALDH1A1HPGDKDM4EHSD17B10

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-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed