SCHEMBL8950764

SCHEMBL8950764

CCCCCCNC(=O)C#CBr

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
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
EPHX2 P34913 3/20 0.47
PLA2G2A P14555 1/20 0.47
FAAH O00519 1/20 0.44

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
SCHEMBL8950832 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950878 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950770 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950850 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950800 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950930 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950862 1.00 EPHX1 (0.57) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950910 0.98 EPHX1 (0.54) EPHX1NAAACASP2ZDHHC20ZDHHC2
SCHEMBL8950790 0.92 EPHX1 (0.48) EPHX1NAAACASP2
SCHEMBL8950865 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US claimed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP claimed
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP disclosed