SCHEMBL19202181

SCHEMBL19202181

COC(=O)c1ccc(C2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1C(=O)OC

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.75
HSD17B13 Q7Z5P4 1/20 0.59

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
SCHEMBL15929532 0.91 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL14562396 0.91 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL14605490 0.91 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL19202106 0.90 NR1H4 (0.83) NR1H4HSD17B13
SCHEMBL14641965 0.88 NR1H4 (0.80) NR1H4HSD17B13
SCHEMBL14642096 0.88 NR1H4 (0.80) NR1H4HSD17B13
SCHEMBL17087792 0.88 NR1H4 (0.80) NR1H4HSD17B13
SCHEMBL15929548 0.86 NR1H4 (0.81) NR1H4HSD17B13
SCHEMBL14562455 0.86 NR1H4 (0.88) NR1H4HSD17B13
SCHEMBL17087814 0.86 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
WO-2017128896-A1 FXR AGONIST AND PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-08-03 WO disclosed