SCHEMBL9166245

SCHEMBL9166245

CCCCCCCCCCCCNC(=O)C#CI

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.57
NAAA Q02083 1/20 0.53
CASP2 P42575 1/20 0.52
FAAH O00519 1/20 0.49
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
EPHX2 P34913 1/20 0.44
PLA2G2A P14555 1/20 0.43

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
SCHEMBL9171562 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9172390 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9171880 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9172408 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9167760 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9169116 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9163796 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9172022 1.00 EPHX1 (0.57) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9170775 0.98 EPHX1 (0.54) EPHX1NAAACASP2FAAHZDHHC20
SCHEMBL9165872 0.92 EPHX1 (0.48) EPHX1NAAACASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519427-B1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-04-26 EP disclosed
EP-0552418-A1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0519427-A2 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-23 EP disclosed