SCHEMBL12374839

SCHEMBL12374839

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP19A1 P11511 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A1 P04798 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 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
SCHEMBL2277095 0.86 ABCG2 (0.47) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2278993 0.86 ABCG2 (0.47) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2283911 0.86 ABCG2 (0.47) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2277100 0.86 ABCG2 (0.47) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2278989 0.86 ABCG2 (0.47) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2283908 0.86 ABCG2 (0.47) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2284220 0.85 ABCG2 (0.46) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2279715 0.85 ABCG2 (0.46) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2277045 0.85 ABCG2 (0.46) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA
SCHEMBL2279708 0.85 ABCG2 (0.46) ABCG2SMN1; SMN2KDM4EALDH1A1MAOA

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