SCHEMBL23403243

SCHEMBL23403243

Cc1ccc(-c2c(C(C)(C)C)[nH]n(C(C)C)c2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.31
PSD A5PKW4 2/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 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
SCHEMBL23403602 0.86 GAA (0.40) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23400847 0.81 KDM4E (0.44) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23398468 0.80 GAA (0.35) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23402487 0.80 ALKBH3 (0.38) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23398684 0.78 ALDH1A1 (0.38) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23402306 0.78 GAA (0.47) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23401123 0.77 GAA (0.46) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23402747 0.76 ADORA2A (0.33) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23400341 0.76 KDM4E (0.37) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL23402996 0.73 ALDH1A1 (0.30) ALDH1A1

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