SCHEMBL8608709

SCHEMBL8608709

COc1c(C(C)(C)C)cc(CC(=O)N2CCNCC2)c(C)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
PKM P14618 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1B P47901 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1H O95180 1/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
MAPT P10636 1/20 0.33
TNFRSF1A P19438 1/20 0.33

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
SCHEMBL8608245 0.89 GAA (0.60) GAAPKMOXTRAVPR1BHPGD
SCHEMBL8606474 0.85 GAA (0.54) GAAPKMHPGDSMN1; SMN2CACNA1H
SCHEMBL8606860 0.85 GAA (0.48) GAAPKMOXTRAVPR1BHPGD
SCHEMBL8609160 0.82 GAA (0.49) GAAPKMHPGDSMN1; SMN2CACNA1H
SCHEMBL8608693 0.80 GAA (0.46) GAAPKMOXTRAVPR1BHPGD
SCHEMBL8609421 0.80 PKM (0.46) GAAPKMAVPR1BHPGDKCNH2
SCHEMBL8606754 0.78 GAA (0.46) GAAPKMHPGDSMN1; SMN2ALDH1A1
SCHEMBL8635182 0.75 GAA (0.60) GAAPKMSMN1; SMN2KCNH2ALDH1A1
SCHEMBL8608187 0.74 GAA (0.58) GAAPKMHPGDKCNH2ALDH1A1
SCHEMBL8635233 0.74 GAA (0.67) GAAHPGDSMN1; SMN2KCNH2ALDH1A1

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