SCHEMBL19786771

SCHEMBL19786771

CCCCCCNC(=O)NCCCCNC(=O)NCCC[N+](C)(C)CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.61
EPHX2 P34913 7/20 0.51
PRMT1 Q99873 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9556892 0.85 ALDH1A1 (0.46) EPHX1ALDH1A1HTT
SCHEMBL6751347 0.84 FAAH (0.55) EPHX2
SCHEMBL103617 0.84 FAAH (0.55) EPHX2
SCHEMBL13133329 0.84 FAAH (0.55) EPHX2
SCHEMBL12939017 0.84 FAAH (0.55) EPHX2
SCHEMBL4572673 0.84 FAAH (0.55) EPHX2
SCHEMBL5466090 0.84 FAAH (0.55) EPHX2
SCHEMBL12761211 0.84 CASP2 (0.57) EPHX2
SCHEMBL8438559 0.84 FAAH (0.55) EPHX2
Pendecamaine SCHEMBL8441552 0.84 FAAH (0.55) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905796-B2 Supramolecular polymer blend XELTIS AG (CH) 2021-02-02 US disclosed
US-20180015202-A1 SUPRAMOLECULAR POLYMER BLEND TECHNISCHE UNIVERSITEIT EINDHOVEN (NL) 2018-01-18 US disclosed