SCHEMBL8608183

SCHEMBL8608183

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 3/20 0.41
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FKBP1A P62942 1/20 0.39
GPR4 P46093 1/20 0.39
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 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
SCHEMBL8608187 0.93 GAA (0.58) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8608693 0.90 GAA (0.46) GAAKMT2APOLBKCNH2HPGD
SCHEMBL8606000 0.86 GAA (0.61) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8635182 0.82 GAA (0.60) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8608828 0.82 GAA (0.65) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8609160 0.82 GAA (0.49) GAAKMT2AKCNH2HPGDPKM
SCHEMBL8608245 0.80 GAA (0.60) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10771524 0.79 KDM4E (0.63) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7792155 0.78 FFAR1 (0.44) GAAKMT2A
SCHEMBL8607351 0.77 PKM (0.56) GAAALDH1A1POLBKCNH2HPGD

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