SCHEMBL6922110

SCHEMBL6922110

O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1CC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.64
RORA P35398 7/20 0.64
NR1H2 P55055 4/20 0.64
NR1H4 Q96RI1 2/20 0.64
NR1H3 Q13133 3/20 0.61
RORB Q92753 3/20 0.53
MLYCD O95822 2/20 0.41
IDH1 O75874 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
SREBF1 P36956 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
NR1I3 Q14994 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL3817824 0.80 RORA (0.68) RORCRORANR1H2NR1H4NR1H3
SCHEMBL31078033 0.80 RORA (0.68) RORCRORANR1H2NR1H4NR1H3
SCHEMBL6922105 0.79 RORA (0.62) RORCRORANR1H2NR1H4NR1H3
SCHEMBL12334079 0.78 RORA (1.00) RORCRORANR1H2NR1H4NR1H3
SCHEMBL2415124 0.76 NR1H3 (1.00) RORCRORANR1H2NR1H4NR1H3
SCHEMBL6922116 0.76 RORA (0.62) RORCRORANR1H2NR1H4NR1H3
SCHEMBL16799889 0.73 RORC (0.56) RORCRORANR1H2NR1H4NR1H3
SCHEMBL2944332 0.72 NR1H3 (0.66) RORCRORANR1H2NR1H4NR1H3
SCHEMBL12334557 0.72 NR1H3 (0.84) RORCRORANR1H2NR1H4NR1H3
SCHEMBL12334070 0.72 ALDH1A1 (0.67) RORCRORANR1H2NR1H4NR1H3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723893-A1 NEW TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF Galderma Research & Development (FR) 2014-04-30 EP claimed
WO-2013000871-A1 NEW TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 WO claimed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 WO disclosed
WO-2004072042-A2 QUINOLINE DERIVATIVE AND THEIR USE FOR MODULATION OF LXR ACTIVITY CAREX S.A. (FR) 2004-08-26 WO disclosed
WO-2004072046-A2 QUINOLINE DERIVATIVES AND THEIR USE FOR MODULATION OF LXR ACTIVITY CAREX S.A. (FR) 2004-08-26 WO disclosed