SCHEMBL7989679

SCHEMBL7989679

[O]CCCOCCOCCO

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TSHR P16473 3/20 0.56
MAPK1 P28482 2/20 0.56
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.33
CYP3A4 P08684 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL7299054 0.97
SCHEMBL11140975 0.92 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10935554 0.89
SCHEMBL8686835 0.86 MEN1 (0.56) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4599949 0.86
SCHEMBL4275729 0.83 GAA (0.47) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5175425 0.83 TSHR (0.40) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2921920 0.82 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2198022 0.82 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8990618 0.82 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed
EP-0051818-B1 PROCESS FOR THE PRODUCTION OF DISCHARGE-RESIST PRINTS ON TEXTILE MATERIALS CASSELLA Aktiengesellschaft (DE) 1985-09-04 EP disclosed
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
EP-0051818-A1 Process for the production of discharge-resist prints on textile materials CASSELLA Aktiengesellschaft (DE) 1982-05-19 EP disclosed