SCHEMBL23401978

SCHEMBL23401978

CCCc1c(CC(C)C)nn(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PDE2A O00408 1/20 0.30

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
SCHEMBL23399039 0.90 FFAR1 (0.37) KDM4EUSP2HPGDHSD17B10
SCHEMBL23402737 0.88 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL23398847 0.87 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10PDE2A
SCHEMBL23400967 0.87 KDM4E (0.35) KDM4EUSP2HPGDHSD17B10PDE2A
SCHEMBL23402160 0.83 KDM4E (0.31) KDM4EUSP2HPGDHSD17B10
SCHEMBL23401617 0.83 SMN1; SMN2 (0.39) KDM4EUSP2HSD17B10SMN1; SMN2
SCHEMBL23402430 0.82 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23400183 0.81 FFAR1 (0.33)
SCHEMBL23401891 0.81 GAA (0.38) KDM4EUSP2HSD17B10SMN1; SMN2
SCHEMBL23399018 0.81 KDM4E (0.32) KDM4EUSP2HPGDHSD17B10

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed