SCHEMBL7270963

SCHEMBL7270963

C=Cc1ccc(OCC(=O)OC(C)(C)C)cc1.COC(C)(C)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 2/20 0.40
STAT3 P40763 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.36
MAOB P27338 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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
SCHEMBL2964490 0.86 MEN1 (0.49) MEN1KMT2ANPC1RAB9APTGS2
4-Vinylphenol SCHEMBL3332947 0.86 MEN1 (0.47) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL6551628 0.85 MEN1 (0.39) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL8767568 0.83 STAT3 (0.42) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL7263965 0.83 PTGS2 (0.35) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL412718 0.81 MEN1 (0.50) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL6551223 0.81 ABCG2 (0.38) MEN1KMT2ANPC1RAB9APTGS2
4-Vinylphenol SCHEMBL1506510 0.80 MEN1 (0.43) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL8768046 0.80 STAT3 (0.41) MEN1KMT2ANPC1RAB9APTGS2
SCHEMBL9626778 0.80 PTGS2 (0.46) MEN1KMT2ANPC1RAB9APTGS2

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-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed