SCHEMBL5580150

SCHEMBL5580150

CCC(c1ccc(Cl)cc1)C(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
UTS2R Q9UKP6 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLK1 P53350 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
KCNA5 P22460 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5580177 0.90 DEGS1 (0.49) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL5580157 0.85 CCR3 (0.51) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6432925 0.77 CNR1 (0.55) ALDH1A1CTSVCTSLCTSBCTSS
SCHEMBL735538 0.76 PLK1 (0.57) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL9829621 0.76 MMP3 (0.54) ALDH1A1HPGDTHRBL3MBTL1LMNA
SCHEMBL25388151 0.76 PLK1 (0.57) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL9829627 0.76 MMP3 (0.54) ALDH1A1HPGDTHRBL3MBTL1LMNA
SCHEMBL25386182 0.76 PLK1 (0.57) ALDH1A1HPGDTHRBL3MBTL1MEN1
SCHEMBL8024738 0.76 LMNA (0.44) ALDH1A1HPGDTHRBL3MBTL1CTSV
SCHEMBL18067772 0.75 PLK1 (0.55) ALDH1A1HPGDTHRBL3MBTL1CTSV

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
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed