SCHEMBL20148994

SCHEMBL20148994

CCC(O)(c1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)c2ccccc2)cc1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 1.00
NR1I2 O75469 1/20 0.68

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
SCHEMBL20148996 0.89 RORC (1.00) RORCNR1I2
SCHEMBL20148995 0.89 RORC (1.00) RORCNR1I2
SCHEMBL20148997 0.89 RORC (1.00) RORCNR1I2
SCHEMBL20148993 0.89 RORC (1.00) RORCNR1I2
SCHEMBL20149117 0.85 RORC (1.00) RORCNR1I2
SCHEMBL23683589 0.81 RORC (1.00) RORCNR1I2
SCHEMBL20139644 0.81 RORC (1.00) RORCNR1I2
SCHEMBL20139621 0.81 RORC (1.00) RORCNR1I2
SCHEMBL23713046 0.81 RORC (1.00) RORCNR1I2
SCHEMBL23713010 0.81 RORC (1.00) RORCNR1I2

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