SCHEMBL11490363

SCHEMBL11490363

CCCCSCCOCCO

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CES1 P23141 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.33
PTGS2 P35354 1/20 0.33
PLA2G4B P0C869 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
Di(Hydroxyethyl)Ether SCHEMBL28263629 0.96 TSHR (0.65) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11474042 0.92 MEN1 (0.61) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11350171 0.90 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11517767 0.90 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11517971 0.90 MEN1 (0.64) TSHRMEN1KMT2ATHRBHTT
SCHEMBL1868836 0.84 MEN1 (0.55) TSHRMEN1KMT2ATHRBHTT
SCHEMBL6130638 0.84 MEN1 (0.55) TSHRMEN1KMT2ATHRBHTT
SCHEMBL6800013 0.83 TSHR (0.62) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11475009 0.83 TSHR (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL10931986 0.82 MEN1 (0.53) TSHRMEN1KMT2ATHRBHTT

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-4190727-A CORROSION INHIBITORS IN DRILLING FLUIDS PETROLITE CORPORATION (US) 1980-02-26 US disclosed