SCHEMBL23398773

SCHEMBL23398773

CCn1[nH]c(-c2cccc(C)c2)c(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
ALDH1A1 P00352 1/20 0.40
ALKBH3 Q96Q83 1/20 0.39
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 2/20 0.37
DAO P14920 1/20 0.36
CDC7 O00311 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TYMP P19971 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
XDH P47989 1/20 0.35
FYN P06241 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL23400444 0.88 KDM4E (0.39) MAPK14ALDH1A1ALKBH3NOTUMKMT2A
SCHEMBL23399972 0.86 KMT2A (0.47) MAPK14ALDH1A1ALKBH3KMT2ADAO
SCHEMBL23399430 0.85 MAPK14 (0.40) MAPK14ALDH1A1NOTUMKMT2ADAO
SCHEMBL23402929 0.84 ALDH1A1 (0.38) MAPK14ALDH1A1ALKBH3NOTUMKMT2A
SCHEMBL23402170 0.84 ALKBH3 (0.44) MAPK14ALDH1A1ALKBH3KMT2AMEN1
SCHEMBL23399658 0.84 KDM4E (0.44) ALDH1A1ALKBH3KMT2AMEN1NPC1
SCHEMBL23401761 0.83 MAPK14 (0.41) MAPK14ALDH1A1ALKBH3KMT2AMEN1
SCHEMBL23399574 0.83 CYBB (0.43) MAPK14ALDH1A1NOTUMKMT2ADAO
SCHEMBL23400635 0.81 KDM4E (0.42) ALDH1A1ALKBH3DAONPC1RAB9A
SCHEMBL23401049 0.80 MAPK14 (0.41) MAPK14ALDH1A1ALKBH3NOTUMKMT2A

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