SCHEMBL23398478

SCHEMBL23398478

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 1/20 0.41
KDM5A P29375 1/20 0.40
TP53 P04637 2/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
CASR P41180 1/20 0.34

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
SCHEMBL23399411 0.88 TSHR (0.40) KDM4EHSD17B10BRD4KDM5ATP53
SCHEMBL23400246 0.87 NPC1 (0.40) KDM4EHSD17B10BRD4ALDH1A1NPC1
SCHEMBL23399112 0.84 KDM4E (0.42) KDM4EHSD17B10BRD4KDM5AALDH1A1
SCHEMBL23401013 0.84 BRD4 (0.38) KDM4EHSD17B10BRD4TP53ALOX5
SCHEMBL23401162 0.83 KDM4E (0.44) KDM4EHSD17B10BRD4KDM5ATP53
SCHEMBL23398957 0.81 PDE4A (0.44) KDM4EHSD17B10BRD4KDM5AALDH1A1
SCHEMBL23403003 0.81 KDM4E (0.42) KDM4EHSD17B10BRD4KDM5ATP53
SCHEMBL23401023 0.81 KDM4E (0.42) KDM4EHSD17B10BRD4KDM5ATP53
SCHEMBL23401027 0.80 BRD4 (0.45) KDM4EBRD4TP53ALOX5ALDH1A1
SCHEMBL23399055 0.79 ALDH1A1 (0.53) KDM4EHSD17B10KDM5ATP53ALOX5

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