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SCHEMBL19260870

SCHEMBL19260870

CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ccncc21

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.79
▸ ESR1 P03372 1/20 0.66
▸ NR3C1 P04150 1/20 0.66
▸ PGR P06401 1/20 0.66
▸ NR3C2 P08235 1/20 0.66
▸ AR P10275 1/20 0.66

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
SCHEMBL19260861 0.92 NR1H4 (0.66) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL19260855 0.91 NR1H4 (0.80) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL19260875 0.91 NR1H4 (0.68) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL29880671 0.88 NR1H4 (0.87) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3731379 0.88 NR1H4 (0.87) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL17883480 0.86 NR1H4 (0.77) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL19260882 0.86 NR1H4 (0.65) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL19260858 0.84 NR1H4 (0.80) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL17873334 0.83 NR1H4 (0.71) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3734487 0.81 NR1H4 (1.00) NR1H4ESR1NR3C1PGRNR3C2

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
WO-2017143134-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-24 — — WO claimed
WO-2017143134-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-24 — — WO disclosed