SCHEMBL28922786

SCHEMBL28922786

CCCCCCCCCCCNC(=O)N[C]=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 18/20 0.69
CASP2 P42575 1/20 0.52
EPHX2 P34913 2/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL967994 1.00 EPHX1 (0.69) EPHX1CASP2EPHX2ALDH1A1HTT
SCHEMBL5166886 0.98 EPHX1 (0.65) EPHX1CASP2EPHX2ALDH1A1HTT
SCHEMBL10867933 0.92 EPHX1 (0.59) EPHX1EPHX2
SCHEMBL966938 0.83
SCHEMBL25225195 0.83 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25227881 0.83 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25276783 0.83 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25229277 0.83 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25270721 0.83 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25228721 0.83 EPHX1 (1.00) EPHX1CASP2EPHX2

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-113376964-A Coloring composition and compound 住友化学株式会社 2021-09-10 CN disclosed
CN-113376962-A Coloring composition and compound 住友化学株式会社 2021-09-10 CN disclosed