SCHEMBL16242483

SCHEMBL16242483

CC[C@H]1CN(CC(=O)c2ccc(Cl)cc2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.42
▸ NR1H3 Q13133 11/20 0.42
▸ NR1I2 O75469 9/20 0.42
▸ NR1H2 P55055 7/20 0.42
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL4640318 0.90 RORC (0.41) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL16242273 0.86 RORC (0.44) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3623625 0.80 RORC (0.43) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3623629 0.80 RORC (0.43) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3625112 0.77 RORC (0.43) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3625122 0.77 RORC (0.43) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3615393 0.77 RORC (0.49) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3615387 0.77 RORC (0.49) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3621418 0.77 RORC (0.42) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3621415 0.77 RORC (0.42) RORCNR1H3NR1I2NR1H2LMNA

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
EP-2392567-B1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
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