SCHEMBL23401799

SCHEMBL23401799

CC(C)(C)c1cc(O)nn1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
CNR1 P21554 3/20 0.51
CNR2 P34972 3/20 0.51
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
GAA P10253 3/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
ATM Q13315 1/20 0.40
JAK2 O60674 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
FCGR1A P12314 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
NTRK1 P04629 1/20 0.38

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
SCHEMBL23402034 0.84 CNR1 (0.52) ALDH1A1CNR1CNR2MAPK13MAPK12
SCHEMBL23402255 0.83 RIPK2 (0.48) ALDH1A1CNR1CNR2GAAMAPK13
SCHEMBL27720508 0.82 PTGS1 (0.46) ALDH1A1CYP1A2CYP2C19
SCHEMBL27944811 0.81 PTGS1 (0.45) ALDH1A1CYP1A2CYP2C19
SCHEMBL13869061 0.80 ALDH1A1 (0.61) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL2608434 0.80 ALDH1A1 (0.61) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL12859421 0.79 ALDH1A1 (0.59) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL23400774 0.78 ALDH1A1 (0.44) ALDH1A1CNR1CNR2MAPK13MAPK12
SCHEMBL4083414 0.78 ALDH1A1 (1.00) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL16573711 0.77 ALDH1A1 (0.58) ALDH1A1CNR1CNR2GRNSORT1

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