SCHEMBL12374830

SCHEMBL12374830

COC(=O)COc1cncc(/C=C/C(=O)c2c(O)cc(C)n(C)c2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SLC5A1 P13866 2/20 0.35
SLC5A2 P31639 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 1/20 0.35
PPARG P37231 1/20 0.34
PADI4 Q9UM07 3/20 0.34
CYP3A4 P08684 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2276772 0.85 ABCG2 (0.47) ABCG2NPC1RAB9ACYP19A1CYP2C9
SCHEMBL2276769 0.85 ABCG2 (0.47) ABCG2NPC1RAB9ACYP19A1CYP2C9
SCHEMBL13403298 0.82 RAB9A (0.57) ABCG2NPC1PKMRAB9ASLC5A1
SCHEMBL12374853 0.81 PADI4 (0.49) NPC1RAB9APADI4L3MBTL1KDM4E
SCHEMBL2284265 0.80 APP (0.48) ABCG2NPC1PKMRAB9ASLC5A1
SCHEMBL2284270 0.80 APP (0.48) ABCG2NPC1PKMRAB9ASLC5A1
SCHEMBL13818099 0.79 PADI4 (0.38) NPC1RAB9ACYP2C9CYP2C19PADI4
SCHEMBL2283102 0.76 CYSLTR2 (0.46) ABCG2NPC1RAB9ACYP2C9MAOB
SCHEMBL2283107 0.76 CYSLTR2 (0.46) ABCG2NPC1RAB9ACYP2C9MAOB
SCHEMBL2283908 0.75 ABCG2 (0.47) ABCG2CYP19A1CYP2C9MAOAMAOB

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