SCHEMBL2833175

SCHEMBL2833175

CC(C)c1cc(CCc2cc(C(C)C)c(OCCCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCCCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GLRA1 P23415 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 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
SCHEMBL2829851 0.96 MEN1 (0.35) MEN1KMT2AALDH1A1GLRA1
SCHEMBL2835818 0.93 MEN1 (0.37) MEN1KMT2AGLRA1
SCHEMBL2832687 0.91 MEN1 (0.33) MEN1KMT2AALDH1A1GLRA1
SCHEMBL2832835 0.88 SRD5A2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL2833273 0.87 ALDH1A1 (0.35) MEN1KMT2AALDH1A1GLRA1
SCHEMBL2833181 0.84 MEN1 (0.34) MEN1KMT2AGLRA1
SCHEMBL2831550 0.84 ALDH1A1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL2828882 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GLRA1
SCHEMBL2829888 0.83 TSHR (0.39) MEN1KMT2AALDH1A1
SCHEMBL2834992 0.83 TP53 (0.39) MEN1KMT2AALDH1A1

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed