SCHEMBL8032200

SCHEMBL8032200

CCCCCCCCCCCNC(=O)N(CCCC)C(=N)N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.47
SPHK1 Q9NYA1 3/20 0.47
CASP2 P42575 1/20 0.43
RRM1 P23921 1/20 0.43
DPP7 Q9UHL4 2/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
NAAA Q02083 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL3070903 0.93 EPHX1 (0.40) EPHX1SPHK1DPP7
SCHEMBL11501702 0.91 SPHK1 (0.43) EPHX1SPHK1CASP2RRM1DPP7
SCHEMBL11468016 0.86 USP2 (0.44) EPHX1SPHK1RRM1GNAI3GNAO1
SCHEMBL11460240 0.83 USP2 (0.41) EPHX1SPHK1GNAI3GNAO1GNAI1
SCHEMBL13097658 0.83 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL13868080 0.83 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL20623094 0.83 EPHX1 (0.57) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL18047858 0.79 EPHX1 (0.48) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL11502077 0.78 ALDH1A1 (0.33) SPHK1
SCHEMBL15159447 0.78 EPHX1 (0.52) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000219615-A COSMETIC KAO CORP 2000-08-08 JP disclosed