SCHEMBL20760749

SCHEMBL20760749

CCCCCCc1ccc2c(c1)c1ccccc1n2CCCCC(CC)CC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.61
RORC P51449 2/20 0.61
RORB Q92753 2/20 0.61
CNR2 P34972 12/20 0.56
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
FDFT1 P37268 2/20 0.47
PGR P06401 2/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL21042574 0.92 RORA (0.60) RORARORCRORBCNR2PSEN1
SCHEMBL20759793 0.85 RORA (0.54) RORARORCRORBCNR2PSEN1
SCHEMBL18648548 0.83 RORA (0.47) RORARORCRORBCNR2PSEN1
SCHEMBL20763507 0.82 SIGMAR1 (0.53) RORARORCRORBPGR
SCHEMBL2216141 0.81 RORA (0.61) RORARORCRORBCNR2PSEN1
SCHEMBL14405501 0.80 RORA (0.61) RORARORCRORBCNR2PSEN1
SCHEMBL28304199 0.79 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL3011106 0.79 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL28305156 0.79 PGR (0.68) RORARORCRORBCNR2PSEN1
SCHEMBL28304215 0.79 PGR (0.68) RORARORCRORBCNR2PSEN1

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-20190055325-A1 METHOD OF MAKING A FUNCTIONALIZED ELASTOMER MIZUHO BANK, LTD., AS ADMINISTRATIVE AGENT 2019-02-21 US disclosed