SCHEMBL9067424

SCHEMBL9067424

C=C(CCC)C(=O)OCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 8/20 0.41
EPHX2 P34913 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 5/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ACHE P22303 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
SCHEMBL25403843 0.90 MEN1 (0.47) THRBMEN1KMT2AHTTMAPT
SCHEMBL11033121 0.90 MEN1 (0.47) THRBMEN1KMT2AHTTMAPT
SCHEMBL2696755 0.89 TSHR (0.41) THRBTSHRALDH1A1ACHEDGKA
SCHEMBL5487190 0.88 MEN1 (0.50) THRBMEN1KMT2AHTTMAPT
SCHEMBL28134906 0.87 THRB (0.61) THRBTSHREPHX2ALDH1A1TP53
SCHEMBL8815469 0.87 MEN1 (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL28364806 0.87 MEN1 (0.53) THRBMEN1KMT2AHTTMAPT
SCHEMBL3423721 0.87 THRB (0.47) THRBMAPTTSHRALDH1A1ACHE
SCHEMBL5246218 0.86 THRB (0.46) THRBMEN1KMT2AHTTMAPT
SCHEMBL9690995 0.85 THRB (0.48) THRBMEN1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401722-B1 Use of blowing compositions DAIKIN IND LTD (JP) 1996-04-24 EP disclosed
US-5070113-A MINIMIZATION OF DEPLETION OF OZONE LAYER DAIKIN INDUSTRIES, LTD. (JP) 1991-12-03 US disclosed
EP-0401722-A1 Use of blowing compositions DAIKIN INDUSTRIES, LIMITED (JP) 1990-12-12 EP disclosed