SCHEMBL23399544

SCHEMBL23399544

CCCCc1c(O)c(C(C)(C)C)nn1-c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPK14 Q16539 3/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 2/20 0.33
NFKB1 P19838 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CCNC P24863 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL23399088 0.92 CDK8 (0.36) CDK8CNR1CNR2MAPK14ALDH1A1
SCHEMBL23403568 0.88 POLB (0.40) CNR1CNR2ALDH1A1POLBMAPK1
SCHEMBL23402504 0.86 CDK8 (0.41) CDK8CNR1CNR2MAPK14ALDH1A1
SCHEMBL23398691 0.86 CNR1 (0.38) CNR1CNR2MAPK14ALDH1A1MAPK13
SCHEMBL23398559 0.85 RIPK2 (0.48) MAPK14ALDH1A1TP53RAB9APOLB
SCHEMBL23400175 0.85 RAB9A (0.35) ALDH1A1TP53RAB9APOLBNFKB1
SCHEMBL23398827 0.83 MAPT (0.35) ALDH1A1TP53RAB9APOLBNFKB1
SCHEMBL23402940 0.83 PDE4A (0.36) CDK8ALDH1A1TP53RAB9APOLB
SCHEMBL23400756 0.83 ALDH1A1 (0.39) ALDH1A1TP53RAB9APOLBNFKB1
SCHEMBL23401717 0.82 MAPK14 (0.37) CDK8CNR1CNR2MAPK14ALDH1A1

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