SCHEMBL23399352

SCHEMBL23399352

Cc1cccc(-c2c(O)c(C(C)(C)C)nn2CC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 2/20 0.38
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ICMT O60725 1/20 0.35
RIPK2 O43353 2/20 0.34
FYN P06241 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
NR1H2 P55055 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL23400395 0.87 NPC1 (0.39) SLC16A3SLC16A1ALDH1A1ICMTRIPK2
SCHEMBL23402439 0.85 NPC1 (0.44) SLC16A3SLC16A1CNR1CNR2ALDH1A1
SCHEMBL23401641 0.85 TRPV1 (0.39) SLC16A3SLC16A1CNR1CNR2ALDH1A1
SCHEMBL23402817 0.84 MEN1 (0.34) CNR1CNR2ALDH1A1ICMTKMT2A
SCHEMBL23402035 0.84 SLC16A3 (0.37) SLC16A3SLC16A1CNR1CNR2ALDH1A1
SCHEMBL23403470 0.83 TP53 (0.41) SLC16A3SLC16A1CNR1CNR2ALDH1A1
SCHEMBL23399019 0.82 SRC (0.39) CNR1CNR2ALDH1A1RIPK2KMT2A
SCHEMBL23403368 0.81 LMNA (0.41) SLC16A3SLC16A1ALDH1A1ICMTKMT2A
SCHEMBL23401503 0.80 ICMT (0.37) SLC16A3SLC16A1ALDH1A1ICMTFYN
SCHEMBL23399578 0.80 CNR1 (0.40) CNR1CNR2ALDH1A1RIPK2LMNA

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