SCHEMBL11140975

SCHEMBL11140975

[O]CCCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
THRB P10828 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.36
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

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
SCHEMBL10935554 0.97
SCHEMBL8686835 0.95 MEN1 (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7989679 0.92 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7299054 0.89
SCHEMBL17707229 0.86 GAA (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5176428 0.86 GAA (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5174979 0.86 GAA (0.47) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10029520 0.86 MEN1 (0.79) MEN1KMT2ATHRBHTTMAPT
SCHEMBL12269389 0.86 MEN1 (0.79) MEN1KMT2ATHRBHTTMAPT
SCHEMBL10029515 0.86 MEN1 (0.79) MEN1KMT2ATHRBHTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4398913-A ALKALINE PASTES CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4386935-A Process for producing discharge reserve prints on textile materials with amino-azo-benzene dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1983-06-07 US disclosed