SCHEMBL12544707

SCHEMBL12544707

CCOC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C(=O)OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
MEN1 O00255 1/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL9581449 1.00 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL12374367 0.95 CA2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5691226 0.95 CA2 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5863155 0.91 CA2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL16351851 0.91 CA2 (0.66) CA12CA1CA2CA7CA9
SCHEMBL22920969 0.89 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4924913 0.89 MEN1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL9581699 0.89 MEN1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL235800 0.86 CA2 (0.73) CA12CA1CA2CA7CA9
SCHEMBL16351874 0.86 CA1 (0.73) CA12CA1CA2CA7CA9

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-20110127512-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed
US-20110127512-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed