SCHEMBL31206313

SCHEMBL31206313

CCCCCC(=O)NCCCCCC#N

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.66
CASP2 P42575 1/20 0.62
FAAH O00519 4/20 0.60
SELP P16109 1/20 0.59
NAAA Q02083 1/20 0.59
DNM1 Q05193 2/20 0.57
SLC6A5 Q9Y345 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
EPHX1 P07099 2/20 0.48

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
SCHEMBL31206518 0.93 CASP2 (0.62) EPHX2CASP2FAAHSELPNAAA
SCHEMBL31206618 0.90 CASP2 (0.67) EPHX2CASP2FAAHSELPNAAA
SCHEMBL6520442 0.90 FAAH (0.61) EPHX2CASP2FAAHSELPNAAA
SCHEMBL846478 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1
SCHEMBL21633848 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1
SCHEMBL23775006 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1
SCHEMBL22271678 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1
SCHEMBL21234011 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1
SCHEMBL1456491 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1
SCHEMBL11176938 0.86 CASP2 (0.83) EPHX2CASP2FAAHNAAADNM1

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
CN-119100986-B Method for synthesizing N-vinyl caprolactam by recycling caprolactam 山东惟普控股有限公司 2025-02-11 CN disclosed
CN-119100986-A Method for synthesizing N-vinyl caprolactam by recycling caprolactam 山东惟普控股有限公司 2024-12-10 CN disclosed