SCHEMBL5086572

SCHEMBL5086572

Nc1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
HIF1A Q16665 8/20 0.41
EPAS1 Q99814 4/20 0.41
EPHX2 P34913 2/20 0.40
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
EP300 Q09472 1/20 0.39
CNR2 P34972 1/20 0.39
ESR1 P03372 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL2710593 0.92 ESR1 (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL4991468 0.88 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2707241 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2709265 0.85 KMT2A (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL5141163 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2709018 0.82 MMP2 (0.43) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL27845478 0.81 LMNA (0.61) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL31544679 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2706961 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2707709 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033142-A1 BILE PREPARATIONS FOR COLORECTAL DISORDERS YOO SEO HONG (US) 2008-03-20 WO claimed
US-20070072828-A1 Gastrointestinal disorders; antiulcer agents; adenomatous polyposis coli; a bile acid (7-ketolithocholic acid) YOO SEO H 2007-03-29 US claimed
WO-2008033142-A1 BILE PREPARATIONS FOR COLORECTAL DISORDERS YOO SEO HONG (US) 2008-03-20 WO disclosed
US-20070072828-A1 Gastrointestinal disorders; antiulcer agents; adenomatous polyposis coli; a bile acid (7-ketolithocholic acid) YOO SEO H 2007-03-29 US disclosed