SCHEMBL12374841

SCHEMBL12374841

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c(C)c(C)n(C)c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 3/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNA3 P22001 1/20 0.39
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL2277998 0.91 NQO1 (0.44) NQO1CYSLTR2CYSLTR1L3MBTL1ABCB1
SCHEMBL2277990 0.91 NQO1 (0.44) NQO1CYSLTR2CYSLTR1L3MBTL1ABCB1
SCHEMBL2280088 0.87 PADI4 (0.48) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2280086 0.87 PADI4 (0.48) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2276772 0.85 ABCG2 (0.47) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2276769 0.85 ABCG2 (0.47) NQO1CYSLTR2CYSLTR1L3MBTL1ABCG2
SCHEMBL2283107 0.83 CYSLTR2 (0.46) NQO1CYSLTR2CYSLTR1L3MBTL1ABCB1
SCHEMBL2283102 0.83 CYSLTR2 (0.46) NQO1CYSLTR2CYSLTR1L3MBTL1ABCB1
SCHEMBL2277984 0.83 ABCG2 (0.49) NQO1CYSLTR2CYSLTR1L3MBTL1ABCB1
SCHEMBL2277980 0.83 ABCG2 (0.49) NQO1CYSLTR2CYSLTR1L3MBTL1ABCB1

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-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed
US-7989478-B2 decreases expression of a Type I collage gene in a tissue to induce a reduction in accumulation of collagen and thereby improves tissue fibrosis SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-02 US disclosed