SCHEMBL10620802

SCHEMBL10620802

OCCOCCN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PYGL P06737 1/20 0.33
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 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
SCHEMBL12918857 0.87 ADH1A (0.32) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL12970045 0.82 MEN1 (0.42) TSHRMAPK1MEN1KMT2APYGL
SCHEMBL6333592 0.78 MEN1 (0.36) MEN1KMT2ATHRBALDH1A1GAA
Ethylene Glycol SCHEMBL10620794 0.76 MEN1 (0.35) MEN1KMT2ATHRBALDH1A1GAA
SCHEMBL11700951 0.75 CYP1A2 (0.35) MEN1KMT2ATHRBMAPTALDH1A1
SCHEMBL11793317 0.74 THRA (0.35) MEN1KMT2ATHRBALDH1A1GAA
SCHEMBL10515323 0.73 SLC29A1 (0.32) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL14199751 0.72 ADH1A (0.35) MEN1KMT2ATHRBALDH1A1GAA
SCHEMBL10170019 0.72 ADH1A (0.39) MEN1KMT2ATHRBALDH1A1GAA
Di(Hydroxyethyl)Ether SCHEMBL7805707 0.72 TSHR (0.77) TSHRMAPK1MEN1KMT2ATHRB

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-4759861-A Consists of an aliphatic mono- or di-carboxylic acid, a dimer or trimer of said dicarboxylic acid, petroleum sulfonic acid and naphthenic acid or salt NIPPON OIL CO., LTD. (JP) 1988-07-26 US disclosed