SCHEMBL20149072

SCHEMBL20149072

CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@@](CO)(c2ccc(F)c(C3CCCC3)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.50
TRPV3 Q8NET8 2/20 0.37
USP30 Q70CQ3 1/20 0.37
PDE4B Q07343 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL20149052 0.88 RORC (0.51) RORCUSP30
SCHEMBL20139710 0.84 RORC (0.58) RORCUSP30
SCHEMBL23683608 0.84 RORC (0.58) RORCUSP30
SCHEMBL23712997 0.78 RORC (0.60) RORC
SCHEMBL20149068 0.74 RORC (0.51) RORC
SCHEMBL20139658 0.73 RORC (0.74) RORC
SCHEMBL20139607 0.73 RORC (0.74) RORC
SCHEMBL20140441 0.72 RORC (0.80) RORC
SCHEMBL20139603 0.72 RORC (0.80) RORC
SCHEMBL23683600 0.71 RORC (0.58) RORC

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
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed