SCHEMBL12465747

SCHEMBL12465747

CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccc(Cl)c3)c(C(=O)c3cccc(F)c3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 1.00
NR1I2 O75469 1/20 0.53
RORB Q92753 1/20 0.53

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
SCHEMBL12467550 0.94 RORC (1.00) RORCNR1I2RORB
SCHEMBL12465641 0.92 RORC (0.85) RORCNR1I2RORB
SCHEMBL12465756 0.91 RORC (1.00) RORCNR1I2RORB
SCHEMBL12468398 0.91 RORC (0.83) RORCNR1I2RORB
SCHEMBL12465697 0.90 RORC (0.82) RORCRORB
SCHEMBL12467562 0.90 RORC (0.84) RORCRORB
SCHEMBL12465759 0.88 RORC (0.85) RORC
SCHEMBL12467518 0.87 RORC (1.00) RORCNR1I2RORB
SCHEMBL12465942 0.86 RORC (0.86) RORCNR1I2RORB
SCHEMBL12465929 0.85 RORC (1.00) RORCNR1I2RORB

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-2012100732-A1 RETINOID-RELATED ORPHAN RECEPTOR GAMMA MODULATORS, COMPOSITION CONTAINING THEM AND USES THEREOF GLAXO GROUP LIMITED (GB) 2012-08-02 WO disclosed