SCHEMBL1737629

SCHEMBL1737629

CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ POLB P06746 2/20 0.51
▸ TNF P01375 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP12 P39900 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.42
▸ MDM4 O15151 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MMP9 P14780 2/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ SLC17A5 Q9NRA2 1/20 0.40
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL16131612 0.91 TNF (0.54) LMNAKMT2ATNFALDH1A1TSHR
SCHEMBL8618364 0.91 TNF (0.54) LMNAKMT2ATNFALDH1A1TSHR
SCHEMBL4781575 0.91 TNF (0.54) LMNAKMT2ATNFALDH1A1TSHR
SCHEMBL14734331 0.91 TNF (0.54) LMNAKMT2ATNFALDH1A1TSHR
SCHEMBL14402250 0.89 LMNA (0.49) LMNAKMT2APOLBTNFALDH1A1
SCHEMBL14402300 0.89 LMNA (0.49) LMNAKMT2APOLBTNFALDH1A1
SCHEMBL15976238 0.89 LMNA (0.49) LMNAKMT2APOLBTNFALDH1A1
SCHEMBL17969701 0.89 LMNA (0.49) LMNAKMT2APOLBTNFALDH1A1
SCHEMBL12838274 0.89 LMNA (0.49) LMNAKMT2APOLBTNFALDH1A1
SCHEMBL17969698 0.89 LMNA (0.49) LMNAKMT2APOLBTNFALDH1A1

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 12 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
US-20060205664-A1 Mucin hypersecretion inhibitors and methods of use WILLIAMS, MASON L. 2006-09-14 — — US disclosed
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