SCHEMBL25335609

SCHEMBL25335609

CCCCN(CCCC)NC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA1 P00915 3/20 0.43
ASAH1 Q13510 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
EPHX1 P07099 1/20 0.34
KDM5A P29375 7/20 0.33
KDM4C Q9H3R0 6/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA2 P00918 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.32

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
SCHEMBL19949895 0.78 EPHX1 (0.47) CA12CA9CA1EPHX1CYP1A2
SCHEMBL27376019 0.75 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL2860849 0.75 CA12 (0.48) CA12CA9CA1MMP1MMP2
SCHEMBL28383235 0.73 CA12 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL27891550 0.73 CA12 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL1777054 0.73 CA12 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL9456807 0.73 CA1 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL28420750 0.73 CA12 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL9456802 0.73 CA12 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL29031203 0.72 CES2 (0.40) CA12CA9CA1EPHX1CYP1A2

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-20230406986-A1 SOLVENT FOR RESIN SYNTHESIS AND METHOD FOR PRODUCING SYNTHETIC RESIN USING SAID SOLVENT KJ CHEMICALS CORPORATION (JP) 2023-12-21 US disclosed
EP-4212574-A1 SOLVENT FOR RESIN SYNTHESIS AND METHOD FOR PRODUCING SYNTHETIC RESIN USING SAID SOLVENT KJ Chemicals Corporation (JP) 2023-07-19 EP disclosed