SCHEMBL8030178

SCHEMBL8030178

CN(C(=O)COc1cccc(N(CC(C)(C)C)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NR1H4 Q96RI1 2/20 0.38
MAPK1 P28482 2/20 0.38
PDE5A O76074 1/20 0.38
PPIB P23284 1/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
HPSE Q9Y251 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
NTSR1 P30989 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35

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
SCHEMBL8020823 0.91 SMN1; SMN2 (0.40) MLYCDSMN1; SMN2MAPK1PDE5APPIB
SCHEMBL8033859 0.91 SMN1; SMN2 (0.44) MLYCDSMN1; SMN2MAPK1PDE5APPIB
SCHEMBL8029991 0.89 LTB4R (0.41) MLYCDSMN1; SMN2MAPK1PDE5APPIB
SCHEMBL8029956 0.89 MLYCD (0.37) MLYCDSMN1; SMN2NR1H4MAPK1PDE5A
SCHEMBL8036230 0.89 SMN1; SMN2 (0.39) MLYCDSMN1; SMN2MAPK1PDE5APPIB
SCHEMBL8034027 0.88 KMT2A (0.42) SMN1; SMN2NR1H4MAPK1PDE5APPIB
SCHEMBL8030526 0.87 SMN1; SMN2 (0.39) MLYCDSMN1; SMN2MAPK1PDE5APPIB
SCHEMBL8020628 0.87 KMT2A (0.42) SMN1; SMN2HTTNPC1KMT2AMEN1
SCHEMBL8036223 0.87 CCR3 (0.38) MLYCDSMN1; SMN2MAPK1PDE5APPIB
SCHEMBL8034174 0.87 ACHE (0.40) MLYCDSMN1; SMN2MAPK1PDE5APPIB

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed