Sugi Predict

Sugi Predict / Compounds / SCHEMBL20148975

SCHEMBL20148975

SCHEMBL20148975

OC(c1ccc([C@@H]2CNC[C@]2(COCc2ccccc2)c2ccc(F)c(-c3ccccc3)c2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.47
▸ NR1I2 O75469 8/20 0.47

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
SCHEMBL20140222 0.87 RORC (0.53) RORCNR1I2
SCHEMBL20149043 0.86 RORC (0.45) RORCNR1I2
Trifluoroacetic Acid SCHEMBL23683594 0.83 RORC (0.49) RORCNR1I2
Trifluoroacetic Acid SCHEMBL20141669 0.83 RORC (0.49) RORCNR1I2
SCHEMBL20141672 0.73 RORC (0.41) RORCNR1I2
SCHEMBL23683597 0.73 RORC (0.41) RORCNR1I2
SCHEMBL20149259 0.73 RORC (0.69) RORCNR1I2
SCHEMBL20139630 0.71 RORC (0.54) RORCNR1I2
SCHEMBL28313800 0.71 RORC (0.54) RORCNR1I2
SCHEMBL23712997 0.67 RORC (0.60) 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