SCHEMBL21624450

SCHEMBL21624450

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(COc2ccc(-c3cccc(CO)c3)cc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.94
▸ LIFR P42702 3/20 0.70
▸ PPARD Q03181 1/20 0.68

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
SCHEMBL21636800 0.97 NR1H4 (1.00) NR1H4LIFR
SCHEMBL28530806 0.92 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL24425716 0.91 NR1H4 (0.94) NR1H4LIFRPPARD
SCHEMBL28530665 0.90 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL21636801 0.90 NR1H4 (0.82) NR1H4LIFRPPARD
SCHEMBL21636777 0.88 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL24425718 0.88 NR1H4 (0.79) NR1H4LIFR
SCHEMBL30080608 0.86 NR1H4 (0.83) NR1H4LIFR
SCHEMBL30080649 0.86 NR1H4 (0.93) NR1H4LIFRPPARD
SCHEMBL21636803 0.86 NR1H4 (1.00) NR1H4LIFRPPARD

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-3823960-A1 ISOXAZOLE AS FXR RECEPTOR AGONISTS Bar Pharmaceuticals Societa ' A Responsabilita' Limitata (IT) 2021-05-26 — — EP disclosed
WO-2020016801-A1 ISOXAZOLE AS FXR RECEPTOR AGONISTS BAR PHARMACEUTICALS SOCIETA' A RESPONSABILITA' LIMITATA (IT) 2020-01-23 — — WO disclosed
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