SCHEMBL23399150

SCHEMBL23399150

CCCn1nc(CC(C)C)c(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
GRIA4 P48058 1/20 0.31

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
SCHEMBL23401625 0.90 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23401907 0.86 KDM4E (0.37) KDM4EUSP2HPGDHSD17B10ADORA2A
SCHEMBL23401903 0.83 KDM4E (0.32) KDM4EUSP2HPGDHSD17B10GRIA4
SCHEMBL23399512 0.82 KDM4E (0.37) KDM4EUSP2HPGDHSD17B10
SCHEMBL23400501 0.82 FFAR1 (0.36) KDM4EUSP2HPGDHSD17B10
SCHEMBL23402950 0.82 GAA (0.41) ADORA2AADORA2B
SCHEMBL23400005 0.81 KDM4E (0.31) KDM4EUSP2HPGDHSD17B10GRIA4
SCHEMBL23402160 0.81 KDM4E (0.31) KDM4EUSP2HPGDHSD17B10GRIA4
SCHEMBL23399202 0.81 KDM4E (0.31) KDM4EUSP2HPGDHSD17B10GRIA4
SCHEMBL23398975 0.80 ADORA2A (0.34) USP2ADORA2AADORA2B

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