SCHEMBL1739364

SCHEMBL1739364

COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CC(C)C)C(=O)O)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ FABP5 Q01469 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL1737775 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL29400602 0.90 FABP5 (0.39) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL1740574 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL1740093 0.88 FABP5 (0.38) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL1740136 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL29398220 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL1738800 0.82 KMT2A (0.38) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1738448 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL2251219 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EFABP5LMNAHTT
SCHEMBL25182302 0.77 FABP5 (0.41) ALDH1A1FABP5LMNAL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858538-B1 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS LTD (US) 2019-03-27 — — EP disclosed
US-9598463-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2017-03-21 — — US disclosed
US-20150274778-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. 2015-10-01 — — US disclosed
US-8907056-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2014-12-09 — — US disclosed
US-20130338085-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. 2013-12-19 — — US disclosed
US-8492518-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS LTD. (US) 2013-07-23 — — US disclosed
US-8293870-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS LTD (US) 2012-10-23 — — US disclosed
EP-2399599-A2 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2011-12-28 — — EP disclosed
US-20100197607-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE WILLIAMS, MASON L. 2010-08-05 — — US disclosed
US-20090275520-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE WILLIAMS, MASON L. 2009-11-05 — — US disclosed
US-7524926-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2009-04-28 — — US disclosed
EP-1858538-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2007-11-28 — — EP disclosed
US-20060205664-A1 Mucin hypersecretion inhibitors and methods of use WILLIAMS, MASON L. 2006-09-14 — — US disclosed
WO-2006078899-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. (US) 2006-07-27 — — WO disclosed
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