SCHEMBL30775169

SCHEMBL30775169

COC(=O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cc(F)cc5Cl)noc4C4CC4)cc3Cl)C2)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.86
HSD17B13 Q7Z5P4 1/20 0.74

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
SCHEMBL19689501 1.00 NR1H4 (0.86) NR1H4HSD17B13
SCHEMBL22426163 0.93 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL19689514 0.92 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL29760423 0.92 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL29139864 0.91 NR1H4 (0.71) NR1H4HSD17B13
SCHEMBL22233105 0.91 NR1H4 (0.74) NR1H4HSD17B13
SCHEMBL19698939 0.89 NR1H4 (0.91) NR1H4HSD17B13
SCHEMBL19689491 0.87 NR1H4 (0.86) NR1H4HSD17B13
SCHEMBL30775158 0.87 NR1H4 (0.86) NR1H4HSD17B13
SCHEMBL28634559 0.86 NR1H4 (0.66) NR1H4HSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924266-A Compounds that modulate FXR (NR 1H 4) 吉利德科学公司 2024-04-26 CN disclosed
CN-117924267-A Compounds that modulate FXR (NR 1H 4) 吉利德科学公司 2024-04-26 CN disclosed
CN-109476636-B Compounds that modulate FXR (NR 1H 4) 吉利德科学公司 2024-01-09 CN disclosed