SCHEMBL23401415

SCHEMBL23401415

CCCCc1cc(O)n(-c2ccc(C)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ALOX5 P09917 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
TLR7 Q9NYK1 3/20 0.41
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MIF P14174 1/20 0.38
NOS2 P35228 1/20 0.37

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
SCHEMBL23398638 0.91 ALDH1A1 (0.45) CNR1CNR2ALOX5SMN1; SMN2POLB
SCHEMBL23401774 0.88 CNR1 (0.62) CNR1CNR2ALOX5RXRARXRB
SCHEMBL23401383 0.85 CNR1 (0.44) CNR1CNR2ALOX5SMN1; SMN2NPC1
SCHEMBL23401576 0.85 CNR1 (0.47) CNR1CNR2ALOX5SMN1; SMN2POLB
SCHEMBL23399441 0.84 KDM5A (0.41) SMN1; SMN2POLBNPC1TP53RAB9A
SCHEMBL2364213 0.82 NPC1 (0.53) CNR1CNR2ALOX5SMN1; SMN2POLB
SCHEMBL23401795 0.79 CNR2 (0.44) CNR1CNR2ALOX5SMN1; SMN2POLB
SCHEMBL15995545 0.79 ALDH1A1 (0.56) CNR1CNR2ALOX5SMN1; SMN2POLB
SCHEMBL23401461 0.78 LMNA (0.57) CNR1CNR2ALOX5POLBMAPK1
SCHEMBL3232635 0.77 ALOX5 (0.44) CNR1CNR2ALOX5SMN1; SMN2POLB

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