SCHEMBL16290940

SCHEMBL16290940

CCCCCCCCN1C(=O)c2csc(-c3scc4c3C(=O)N(CCCCCCCC)C4=O)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
MGLL Q99685 3/20 0.46
FAAH O00519 1/20 0.46
CDC25A P30304 11/20 0.43
CES1 P23141 2/20 0.43
ALDH1A1 P00352 2/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
G6PD P11413 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14897892 0.89 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL14897762 0.85 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16307246 0.85 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL14881267 0.85 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15929341 0.82 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15929294 0.78 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL1690112 0.78 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16356272 0.78 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL2031441 0.78 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15929367 0.78 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768880-B1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIV LAVAL (CA) 2025-11-26 EP disclosed
US-10584203-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2020-03-10 US disclosed
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed