SCHEMBL8608693

SCHEMBL8608693

COc1c(C)cc(CC(=O)N2CCNCC2)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
KCNH2 Q12809 2/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
OXTR P30559 1/20 0.37
AVPR1B P47901 1/20 0.37
CACNA1H O95180 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8609160 0.92 GAA (0.49) GAASMN1; SMN2PKMKCNH2KMT2A
SCHEMBL8608183 0.90 GAA (0.54) GAAPKMKCNH2KMT2AMAPT
SCHEMBL8608641 0.84 GAA (0.54) GAAPKMKMT2AMAPTHTT
SCHEMBL8606860 0.83 GAA (0.48) GAASMN1; SMN2PKMKCNH2OXTR
SCHEMBL8608187 0.81 GAA (0.58) GAAPKMKCNH2KMT2APOLB
SCHEMBL8604372 0.80 GAA (0.55) GAAPKMKMT2AMAPTHTT
SCHEMBL8608709 0.80 GAA (0.48) GAASMN1; SMN2PKMKCNH2KMT2A
SCHEMBL8607351 0.80 PKM (0.56) GAASMN1; SMN2PKMKCNH2HTT
SCHEMBL8607421 0.79 HTT (0.55) GAASMN1; SMN2PKMKMT2AMAPT
SCHEMBL7433455 0.78 KMT2A (0.59) SMN1; SMN2PKMKMT2AHTTGFER

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