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Sugi Predict / Compounds / SCHEMBL29143473

SCHEMBL29143473

SCHEMBL29143473

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccccc1-c1ccc(CC(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.77
▸ PPARD Q03181 7/20 0.72
▸ LIFR P42702 2/20 0.59
▸ FABP1 P07148 1/20 0.56
▸ FABP4 P15090 1/20 0.56

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
SCHEMBL29143477 0.90 NR1H4 (0.70) NR1H4PPARDLIFR
SCHEMBL30629729 0.87 NR1H4 (1.00) NR1H4PPARDLIFRFABP1FABP4
SCHEMBL29143470 0.85 NR1H4 (0.79) NR1H4FABP1FABP4
SCHEMBL29143446 0.83 NR1H4 (0.82) NR1H4PPARD
SCHEMBL29143491 0.83 NR1H4 (0.85) NR1H4PPARD
SCHEMBL21624448 0.81 NR1H4 (0.69) NR1H4PPARDLIFR
SCHEMBL29143630 0.79 NR1H4 (0.77) NR1H4LIFRFABP1FABP4
SCHEMBL24425716 0.77 NR1H4 (0.94) NR1H4PPARDLIFR
SCHEMBL2306113 0.76 NR1H4 (0.89) NR1H4PPARDLIFRFABP1
SCHEMBL30080655 0.76 NR1H4 (0.94) NR1H4PPARDLIFR

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
CN-116925059-A Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 — — CN claimed
CN-116925059-A Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 — — CN disclosed
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