SCHEMBL29312023

SCHEMBL29312023

Cc1ccc(C2CC(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.78
▸ FXR2 P51116 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
SCHEMBL19620253 0.95 NR1H4 (0.70) NR1H4FXR2
SCHEMBL19620269 0.88 NR1H4 (0.86) NR1H4FXR2
SCHEMBL19620274 0.88 NR1H4 (0.80) NR1H4FXR2
SCHEMBL18725003 0.87 NR1H4 (1.00) NR1H4FXR2
SCHEMBL17087792 0.87 NR1H4 (0.80) NR1H4FXR2
SCHEMBL14641965 0.87 NR1H4 (0.80) NR1H4FXR2
SCHEMBL14642096 0.87 NR1H4 (0.80) NR1H4FXR2
SCHEMBL18725000 0.86 NR1H4 (0.83) NR1H4FXR2
SCHEMBL18724849 0.85 NR1H4 (0.75) NR1H4FXR2
SCHEMBL15929522 0.84 NR1H4 (0.75) NR1H4FXR2

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-4400503-A2 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2024-07-17 — — EP disclosed
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