SCHEMBL8029956

SCHEMBL8029956

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NR1H4 Q96RI1 1/20 0.36
PDE5A O76074 1/20 0.36
MAPK1 P28482 2/20 0.36
PPIB P23284 1/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
HPSE Q9Y251 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
PLA2G4B P0C869 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL8036105 0.95 MLYCD (0.36) MLYCDSMN1; SMN2MAPK1PPIBHTT
SCHEMBL8030312 0.93 NR1H4 (0.34) MLYCDSMN1; SMN2NR1H4PDE5AHTT
SCHEMBL8036249 0.89 NR1H4 (0.41) MLYCDSMN1; SMN2NR1H4MAPK1NPC1
SCHEMBL27473598 0.89 MAPT (0.38) MLYCDSMN1; SMN2MAPK1PPIBHTT
SCHEMBL8030178 0.89 MLYCD (0.39) MLYCDSMN1; SMN2NR1H4PDE5AMAPK1
SCHEMBL8029986 0.89 KMT2A (0.40) SMN1; SMN2NR1H4MAPK1PPIBHTT
SCHEMBL27487707 0.88 KDM4E (0.35) MLYCDSMN1; SMN2MAPK1PPIBHTT
SCHEMBL27487343 0.88 ITGB1 (0.34) MLYCDSMN1; SMN2MAPK1PPIBHTT
SCHEMBL8020823 0.88 SMN1; SMN2 (0.40) MLYCDSMN1; SMN2PDE5AMAPK1PPIB
SCHEMBL8033859 0.88 SMN1; SMN2 (0.44) MLYCDSMN1; SMN2PDE5AMAPK1PPIB

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