SCHEMBL23399384

SCHEMBL23399384

CCCCc1nn(-c2ccc(C)cc2)c(C(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
TP53 P04637 4/20 0.33
MAPT P10636 4/20 0.33
NFKB1 P19838 2/20 0.33
MAPK1 P28482 2/20 0.33
UCHL3 P15374 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL23399369 0.92 TP53 (0.35) TP53MAPTNFKB1MAPK1NPC1
SCHEMBL23398695 0.88 PDE4A (0.41) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL23400451 0.86 PDE4A (0.38) TP53MAPTMAPK1NPC1RAB9A
SCHEMBL23403669 0.86 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL23402709 0.85 ALDH1A1 (0.38) TP53MAPTNFKB1MAPK1NPC1
SCHEMBL23403366 0.83 ALDH1A1 (0.40) TP53MAPTNFKB1MAPK1NPC1
SCHEMBL23399940 0.82 GCGR (0.38) GCGRTP53MAPTNFKB1MAPK1
SCHEMBL23399014 0.82 HPGD (0.37) TP53MAPTNPC1RAB9ASLC5A1
SCHEMBL23400175 0.82 RAB9A (0.35) TP53MAPTNFKB1MAPK1NPC1
SCHEMBL23401803 0.82 CACNA1H (0.37) GCGRTP53MAPTNFKB1MAPK1

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