SCHEMBL12820199

SCHEMBL12820199

CCCCOC1(OC)C[C@@H](C(=O)OC)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
PRCP P42785 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FKBP1A P62942 1/20 0.39
TP53 P04637 1/20 0.39
PREP P48147 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL4849095 0.89 HTT (0.48) MITFMAPTHTTALDH1A1TSHR
SCHEMBL4849092 0.89 HTT (0.48) MITFMAPTHTTALDH1A1TSHR
SCHEMBL10741414 0.80 NPC1 (0.46) ALDH1A1NPSR1PREPSMN1; SMN2NPC1
SCHEMBL18020339 0.79 MITF (0.49) MITFMAPTHTTALDH1A1TSHR
SCHEMBL204603 0.78 MITF (0.48) MITFMAPTHTTALDH1A1TSHR
SCHEMBL8298601 0.78 MITF (0.48) MITFMAPTHTTALDH1A1TSHR
SCHEMBL8279227 0.78 MITF (0.48) MITFMAPTHTTALDH1A1TSHR
SCHEMBL2707991 0.78 MITF (0.48) MITFMAPTHTTALDH1A1TSHR
SCHEMBL201194 0.76 HTT (0.47) MITFMAPTHTTALDH1A1TSHR
SCHEMBL9977347 0.76 HTT (0.47) MITFMAPTHTTALDH1A1TSHR

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
WO-2011028596-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-03-10 WO disclosed