SCHEMBL23344400

SCHEMBL23344400

C=C(N)C(=C)NCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CASP2 P42575 1/20 0.45
NAAA Q02083 1/20 0.42
SPHK1 Q9NYA1 4/20 0.41
RRM1 P23921 1/20 0.41
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL24715226 0.84 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL19444324 0.84 EPHX1 (0.52) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL27838835 0.83 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL24850057 0.82 EPHX1 (0.48) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL9580786 0.81 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL15629920 0.79
SCHEMBL3278553 0.77 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL3278820 0.77 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL3277865 0.77 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA
SCHEMBL8931322 0.77 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2CASP2NAAA

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
EP-3819328-A1 THERMALLY-CONDUCTIVE CURABLE COMPOSITION 3M Innovative Properties Company (US) 2021-05-12 EP disclosed