SCHEMBL29618060

SCHEMBL29618060

OC1(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)CC(c2ccc(Br)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.81
HSD17B13 Q7Z5P4 1/20 0.60

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
SCHEMBL21715300 1.00 NR1H4 (0.81) NR1H4HSD17B13
SCHEMBL14562428 0.93 NR1H4 (0.79) NR1H4HSD17B13
SCHEMBL15929557 0.93 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL15929548 0.92 NR1H4 (0.81) NR1H4HSD17B13
SCHEMBL29312004 0.90 NR1H4 (0.79) NR1H4HSD17B13
SCHEMBL29312005 0.90 NR1H4 (0.79) NR1H4HSD17B13
SCHEMBL17087814 0.90 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14641890 0.90 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL29880760 0.90 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14641898 0.90 NR1H4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638473-B Compounds for modulating farnesoid X receptors and methods of making and using the same 因奥必治疗有限公司 2022-06-07 CN disclosed