SCHEMBL23399396

SCHEMBL23399396

CCc1nn(-c2ccc(C)cc2)c(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL23399281 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23399943 0.86 KDM4C (0.55) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23399307 0.85 PDE4A (0.40) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23403366 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23399986 0.82 PTGS2 (0.45) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23402264 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23400313 0.81 CDK8 (0.41) ALDH1A1SMN1; SMN2RAB9ATP53PDE4D
SCHEMBL23398437 0.81 PDE4A (0.38) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23400451 0.81 PDE4A (0.38) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL23402627 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ATP53LMNA

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