SCHEMBL13616266

SCHEMBL13616266

CCCCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(C)(CC)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 3/20 0.42
RORC P51449 3/20 0.42
RORB Q92753 3/20 0.42
PGR P06401 3/20 0.39
CNR2 P34972 3/20 0.38
FDFT1 P37268 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL13616260 0.87 RORA (0.41) RORARORCRORBPGRCNR2
SCHEMBL10067556 0.85 RORA (0.47) RORARORCRORBPGRCNR2
SCHEMBL13776939 0.85 RORA (0.47) RORARORCRORBPGRCNR2
SCHEMBL13932547 0.85 RORA (0.47) RORARORCRORBPGRCNR2
SCHEMBL13129252 0.83 KDM4E (0.52) PGRKDM4EATML3MBTL1POLB
SCHEMBL25919857 0.83 RORA (0.45) RORARORCRORBPGRCNR2
SCHEMBL13629284 0.83 RORA (0.45) RORARORCRORBPGRCNR2
SCHEMBL24714320 0.82 KDM4E (0.44) RORARORCRORBPGRCNR2
SCHEMBL15451486 0.82 KDM4E (0.44) RORARORCRORBPGRCNR2
SCHEMBL13932549 0.81 RORA (0.39) RORARORCRORBPGRCNR2

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
US-7632579-B2 Light emitting element and azole compound FUJIFILM CORPORATION (JP) 2009-12-15 US disclosed