SCHEMBL8607276

SCHEMBL8607276

COc1c(CCC(=O)N2CCNCC2)cccc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL8606754 0.88 GAA (0.46) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL8606883 0.85 GAA (0.66) GAAMEN1KMT2AHPGD
SCHEMBL8635182 0.83 GAA (0.60) GAAMEN1KMT2AALDH1A1KCNH2
SCHEMBL8608187 0.80 GAA (0.58) GAAMEN1KMT2AALDH1A1KCNH2
SCHEMBL8608245 0.79 GAA (0.60) GAAMEN1KMT2AALDH1A1KCNH2
SCHEMBL7796396 0.77 NR1H4 (0.47)
SCHEMBL8608905 0.77 ALDH1A1 (0.50) GAAALDH1A1LMNATMEM97KCNH2
SCHEMBL8608183 0.76 GAA (0.54) GAAMEN1KMT2AALDH1A1KCNH2
SCHEMBL8606651 0.75 GAA (0.52) GAAKMT2AHPGD
SCHEMBL8606860 0.74 GAA (0.48) GAAKCNH2HPGD

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