SCHEMBL12374847

SCHEMBL12374847

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c3c(n(C)c2=O)CCCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NQO1 P15559 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
NR1H4 Q96RI1 1/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL12374841 0.83 NQO1 (0.45) CYSLTR2CYSLTR1L3MBTL1NQO1ABCB1
SCHEMBL13403306 0.82 NQO1 (0.52) CYSLTR2CYSLTR1NQO1ABCB1ABCG2
SCHEMBL14514848 0.81 MAPT (0.45) NQO1ABCB1ALDH1A1MAPTLMNA
SCHEMBL2280088 0.81 PADI4 (0.48) CYSLTR2CYSLTR1L3MBTL1NQO1ABCG2
SCHEMBL2277998 0.81 NQO1 (0.44) CYSLTR2CYSLTR1L3MBTL1NQO1ABCB1
SCHEMBL2277990 0.81 NQO1 (0.44) CYSLTR2CYSLTR1L3MBTL1NQO1ABCB1
SCHEMBL2280086 0.81 PADI4 (0.48) CYSLTR2CYSLTR1L3MBTL1NQO1ABCG2
SCHEMBL2276772 0.80 ABCG2 (0.47) CYSLTR2CYSLTR1L3MBTL1NQO1ABCG2
SCHEMBL2276769 0.80 ABCG2 (0.47) CYSLTR2CYSLTR1L3MBTL1NQO1ABCG2
SCHEMBL4510106 0.79 CYSLTR2 (0.44) CYSLTR2CYSLTR1L3MBTL1NQO1ABCB1

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