SCHEMBL4640648

SCHEMBL4640648

CCC1CN(C(=O)Cc2cccc(OC)c2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1.CCC1CN(C(=O)c2ccco2)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2S1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 10/20 0.39
▸ NR1H3 Q13133 9/20 0.39
▸ NR1I2 O75469 7/20 0.39
▸ NR1H2 P55055 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL4640642 1.00 RORC (0.39) RORCNR1H3NR1I2NR1H2ALDH1A1
SCHEMBL3625361 0.92 RORC (0.44) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3625359 0.92 RORC (0.44) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3621293 0.88 RORC (0.43) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3621297 0.88 RORC (0.43) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3623615 0.83 RORC (0.45) RORCNR1H3NR1I2NR1H2ALDH1A1
SCHEMBL3623612 0.83 RORC (0.45) RORCNR1H3NR1I2NR1H2ALDH1A1
SCHEMBL3625401 0.81 RORC (0.46) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3625398 0.81 RORC (0.46) RORCNR1H3NR1I2NR1H2LMNA
SCHEMBL3625254 0.78 RORC (0.47) RORCNR1H3NR1I2NR1H2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951676-A2 LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007050425-A2 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 — — WO disclosed
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