SCHEMBL19230631

SCHEMBL19230631

O=C(O)c1cccc2c1CCC(c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1Cl)O2

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62
FXR2 P51116 1/20 0.62
HSD17B13 Q7Z5P4 1/20 0.59
FABP1 P07148 4/20 0.58
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
SCHEMBL19230747 0.92 NR1H4 (0.56) NR1H4FXR2FABP1
SCHEMBL19230519 0.88 NR1H4 (0.64) NR1H4FXR2HSD17B13FABP1
SCHEMBL19230521 0.86 NR1H4 (0.74) NR1H4FXR2HSD17B13
SCHEMBL19230625 0.86 NR1H4 (0.74) NR1H4FXR2HSD17B13
SCHEMBL19230515 0.86 NR1H4 (0.74) NR1H4FXR2HSD17B13
SCHEMBL19230541 0.86 NR1H4 (0.74) NR1H4FXR2HSD17B13
SCHEMBL19230517 0.82 NR1H4 (0.71) NR1H4FXR2HSD17B13
SCHEMBL19230599 0.82 NR1H4 (0.71) NR1H4FXR2HSD17B13
SCHEMBL19230498 0.82 NR1H4 (0.71) NR1H4FXR2HSD17B13
SCHEMBL19230674 0.82 NR1H4 (0.57) NR1H4FXR2FABP1

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-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed