SCHEMBL1740136

SCHEMBL1740136

COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FABP5 Q01469 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ BMP1 P13497 1/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ PIK3CG P48736 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31

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
SCHEMBL1738448 0.92 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1740574 0.91 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL29400602 0.89 FABP5 (0.39) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1738792 0.84 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1740093 0.84 FABP5 (0.38) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1739364 0.83 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1737775 0.82 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL29398220 0.82 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL5492516 0.77 TAS1R3 (0.34) ALDH1A1HTTSMN1; SMN2LMNAFABP5
SCHEMBL1401611 0.75 KMT2A (0.47) FABP5KMT2APOLB

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