SCHEMBL23401162

SCHEMBL23401162

CCc1c(-c2ccccc2C)[nH]n(CC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM5A P29375 1/20 0.39
BRD4 O60885 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
CXCR2 P25025 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL23400310 0.88 CYBB (0.40) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23399112 0.88 KDM4E (0.42) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23399949 0.86 ALDH1A1 (0.48) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23398957 0.86 PDE4A (0.44) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23401650 0.86 MAPT (0.37) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23400700 0.84 NPC1 (0.40) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23398478 0.83 KDM4E (0.45) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23399643 0.80 CYBB (0.44) KDM4EHSD17B10KDM5ANPC1RAB9A
SCHEMBL23401023 0.79 KDM4E (0.42) KDM4EHSD17B10KDM5ABRD4NPC1
SCHEMBL23403611 0.79 GAA (0.40) KDM4EHSD17B10BRD4ALDH1A1HPGD

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