SCHEMBL8950824

SCHEMBL8950824

CCCCNC(=O)C#CCl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.48
ACHE P22303 8/20 0.45
MMP2 P08253 2/20 0.45
NAAA Q02083 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.41
CASP2 P42575 1/20 0.41
FAAH O00519 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
SCHEMBL8950795 0.94 EPHX1 (0.54) EPHX1NAAACASP2FAAH
SCHEMBL8950926 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950801 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950818 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950916 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950788 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950774 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950830 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950805 0.92 EPHX1 (0.57) EPHX1NAAACASP2FAAH
SCHEMBL8950872 0.89

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-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