SCHEMBL8608136

SCHEMBL8608136

CC(C)(C)c1cc(CCC(=O)N2CCNCC2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.42
CACNA1H O95180 1/20 0.37
GPR4 P46093 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CACNA1A O00555 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
SCHEMBL8608650 0.88 GAA (0.68) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL8608313 0.87 GAA (0.54) GAAMEN1KMT2AALDH1A1XBP1
SCHEMBL28287652 0.86 GAA (0.54) GAAMEN1KMT2AALDH1A1XBP1
SCHEMBL8635233 0.84 GAA (0.67) GAAMEN1KMT2AALDH1A1XBP1
SCHEMBL8608828 0.83 GAA (0.65) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL8606883 0.81 GAA (0.66) GAAMEN1KMT2AHPGDNPC1
SCHEMBL8606000 0.80 GAA (0.61) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL30206727 0.77 NR1H4 (0.48) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL265814 0.77 NR1H4 (0.48) GAAALDH1A1XBP1MAPK1HTT
SCHEMBL8606755 0.76 HPGD (0.52) GAAMEN1KMT2AALDH1A1XBP1

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-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed