SCHEMBL12374879

SCHEMBL12374879

[C-]#[N+]COc1cccc(/C=C/C(=O)c2c(O)c3ccccc3n(C)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 4/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.45
ABCG2 Q9UNQ0 2/20 0.43
NQO1 P15559 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NLRP3 Q96P20 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL2278731 0.87 PADI4 (0.50) PADI4ALDH1A1KDM4EABCG2NQO1
SCHEMBL2278736 0.87 PADI4 (0.50) PADI4ALDH1A1KDM4EABCG2NQO1
SCHEMBL2284378 0.85 ALDH1A1 (0.47) PADI4ALDH1A1KDM4EABCG2NQO1
SCHEMBL2284384 0.85 ALDH1A1 (0.47) PADI4ALDH1A1KDM4EABCG2NQO1
SCHEMBL2280086 0.85 PADI4 (0.48) PADI4ALDH1A1KDM4EABCG2NQO1
SCHEMBL2280088 0.85 PADI4 (0.48) PADI4ALDH1A1KDM4EABCG2NQO1
SCHEMBL12374839 0.82 ABCG2 (0.45) ALDH1A1KDM4EABCG2NQO1NPC1
SCHEMBL13403233 0.79 NQO1 (0.61) ALDH1A1KDM4EABCG2NQO1MEN1
SCHEMBL12374662 0.79 PADI4 (0.47) PADI4KDM4EABCG2NQO1MEN1
SCHEMBL2279338 0.76 PADI4 (0.53) PADI4ALDH1A1KDM4EABCG2NQO1

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 1 patent. 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