SCHEMBL21787545

SCHEMBL21787545

CC(C)(O)CCNC(=O)CC1CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.55
▸ NR1I2 O75469 4/20 0.44
▸ NR1H3 Q13133 2/20 0.44

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
SCHEMBL16564739 0.74 RORC (0.39) RORC
SCHEMBL16553844 0.72 RORC (0.49) RORCNR1H3
SCHEMBL16564686 0.71 GAA (0.46) RORCNR1I2NR1H3
SCHEMBL16564892 0.71 RORC (0.88) RORCNR1I2NR1H3
SCHEMBL18197118 0.71 RORC (1.00) RORCNR1I2NR1H3
SCHEMBL11472931 0.71 AR (0.42) RORCNR1I2NR1H3
SCHEMBL3625724 0.67 GAA (0.42) RORCNR1I2NR1H3
SCHEMBL22297828 0.66 AR (0.43) —
SCHEMBL15528548 0.66 RORC (0.32) RORCNR1I2NR1H3
SCHEMBL6752933 0.66 AR (0.40) —

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-2020047487-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS AND STATINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-05 — — WO disclosed
Send feedback