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Sugi Predict / Compounds / SCHEMBL20148998

SCHEMBL20148998

SCHEMBL20148998

CC1(c2ccc(F)cc2)CC(C(=O)[C@H]2CC[C@@H](C(=O)O)CC2)CCC[C@H]1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.63
▸ NR1I2 O75469 8/20 0.50

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
SCHEMBL20149115 1.00 RORC (0.63) RORCNR1I2
SCHEMBL20149097 0.79 RORC (0.57) RORCNR1I2
SCHEMBL23713074 0.77 RORC (1.00) RORCNR1I2
SCHEMBL23683590 0.77 RORC (1.00) RORCNR1I2
SCHEMBL23713018 0.77 RORC (1.00) RORCNR1I2
SCHEMBL20149038 0.77 RORC (0.51) RORCNR1I2
SCHEMBL20149086 0.76 RORC (0.60) RORCNR1I2
SCHEMBL20149085 0.76 RORC (0.61) RORCNR1I2
SCHEMBL20149096 0.76 RORC (0.60) RORCNR1I2
SCHEMBL20149056 0.75 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