SCHEMBL12374656

SCHEMBL12374656

[C-]#[N+]COc1ccc(/C=C/C(=O)c2c(O)cc(C)[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SLC5A1 P13866 5/20 0.52
SLC5A2 P31639 5/20 0.52
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
MAPT P10636 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
PADI4 Q9UM07 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK10 P53779 1/20 0.43
ASAH1 Q13510 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
SCHEMBL12374655 0.89 ABCG2 (0.47) LMNAHTTSMN1; SMN2NPSR1MAPT
SCHEMBL2284568 0.86 LMNA (0.54) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL2284564 0.86 LMNA (0.54) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL2279822 0.84 LMNA (0.52) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL2279670 0.84 LMNA (0.52) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL2279675 0.84 LMNA (0.52) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL2279826 0.84 LMNA (0.52) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL12374663 0.78 PADI4 (0.56) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2281145 0.76 LMNA (0.54) LMNAHTTSMN1; SMN2NPSR1SLC5A1
SCHEMBL2281141 0.76 LMNA (0.54) LMNAHTTSMN1; SMN2NPSR1SLC5A1

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