SCHEMBL23402175

SCHEMBL23402175

CCCCc1nn(-c2ccc(C)cc2)c(O)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.38
MAPK14 Q16539 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK13 O15264 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
PTK2 Q05397 4/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DPP4 P27487 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
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 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
SCHEMBL23399349 0.88 PDE4A (0.41) MAPK14ALDH1A1MAPK13CNR1CNR2
SCHEMBL23398722 0.86 CDK8 (0.44) CDK8MAPK14ALDH1A1MAPK13CNR1
SCHEMBL23401251 0.86 MAPK13 (0.38) MAPK14ALDH1A1MAPK13CNR1CNR2
SCHEMBL23403090 0.85 RIPK2 (0.40) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL23400342 0.84 TP53 (0.38) ALDH1A1TP53SMN1; SMN2DPP4PDE4A
SCHEMBL23400401 0.83 TP53 (0.36) ALDH1A1TP53SMN1; SMN2DPP4PDE4A
SCHEMBL23400163 0.82 CDK8 (0.36) CDK8MAPK14ALDH1A1MAPK13CNR1
SCHEMBL23402250 0.82 TP53 (0.42) ALDH1A1TP53SMN1; SMN2DPP4PDE4A
SCHEMBL23401847 0.80 TP53 (0.40) ALDH1A1TP53SMN1; SMN2DPP4PDE4A
SCHEMBL23403298 0.80 PDE4A (0.38) MAPK14ALDH1A1TP53SMN1; SMN2DPP4

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