SCHEMBL1737775

SCHEMBL1737775

COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](Cc2ccccc2)C(=O)O)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ FABP5 Q01469 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1739364 0.91 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL29400602 0.89 FABP5 (0.39) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL1740093 0.87 FABP5 (0.38) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL1740574 0.82 ALDH1A1 (0.34) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL1738800 0.82 KMT2A (0.38) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL1740136 0.82 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL29398220 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL1738448 0.80 ALDH1A1 (0.34) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL2251219 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRPOLBFABP5
SCHEMBL15083099 0.76 PPARG (0.43) ALDH1A1POLBFABP5PPARGPPARA

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
Send feedback