SCHEMBL12374655

SCHEMBL12374655

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.47
LMNA P02545 6/20 0.45
HTT P42858 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP19A1 P11511 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
PAX8 Q06710 1/20 0.41
APP P05067 1/20 0.41
NQO1 P15559 1/20 0.41

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
SCHEMBL12374656 0.89 LMNA (0.53) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2278626 0.87 ACMSD (0.49) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2278601 0.87 ABCG2 (0.47) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2278624 0.87 ACMSD (0.49) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2278603 0.87 ABCG2 (0.47) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2281949 0.86 ABCG2 (0.47) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2281943 0.86 ABCG2 (0.47) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2279952 0.85 ABCG2 (0.46) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2279958 0.85 ABCG2 (0.48) ABCG2LMNAHTTMAPTSMN1; SMN2
SCHEMBL2279949 0.85 ABCG2 (0.46) ABCG2LMNAHTTMAPTSMN1; SMN2

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