SCHEMBL20115893

SCHEMBL20115893

CCCCCCCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(O)c(-c2ccccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.41
RORC P51449 2/20 0.41
RORB Q92753 2/20 0.41
KAT8 Q9H7Z6 2/20 0.35
PGR P06401 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR3 P46089 1/20 0.34
IGF1R P08069 1/20 0.34
ALOX15 P16050 1/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL20116772 0.83 RORC (0.39) RORARORCRORBKAT8CNR2
SCHEMBL25919850 0.78 RORA (0.39) RORARORCRORBPGRGPR3
SCHEMBL25920074 0.77 RORA (0.42) RORARORCRORBPGRGPR3
SCHEMBL18707415 0.77 RORA (0.42) RORARORCRORBPGRCNR2
SCHEMBL13323477 0.75 RORA (0.45) RORARORCRORBPGRNPC1
SCHEMBL23372135 0.75 RORA (0.54) RORARORCRORBPGRGPR3
SCHEMBL12628219 0.75 FAAH (0.47) RORARORCRORBPGRTP53
SCHEMBL25919860 0.75 RORA (0.38) RORARORCRORBPGRPOLB
SCHEMBL18707365 0.75 RORA (0.40) RORARORCRORBPGR
SCHEMBL4546856 0.74 RORA (0.49) RORARORCRORBTP53GPR3

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-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed