SCHEMBL24313838

SCHEMBL24313838

CC1(C)OB(c2ccc3cc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cnc3c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.49
FABP1 P07148 7/20 0.49
HSD17B13 Q7Z5P4 2/20 0.48
FABP4 P15090 2/20 0.47

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
SCHEMBL24313845 0.84 NR1H4 (0.58) NR1H4FABP1HSD17B13FABP4
SCHEMBL24313837 0.83 NR1H4 (0.55) NR1H4FABP1HSD17B13FABP4
SCHEMBL23474125 0.81 NR1H4 (0.49) NR1H4FABP1HSD17B13FABP4
SCHEMBL24314308 0.76 NR1H4 (0.52) NR1H4FABP1HSD17B13FABP4
SCHEMBL30013589 0.75 NR1H4 (0.65) NR1H4FABP1HSD17B13FABP4
SCHEMBL23474088 0.75 NR1H4 (0.65) NR1H4FABP1HSD17B13FABP4
SCHEMBL24599019 0.75 NR1H4 (0.54) NR1H4FABP1
SCHEMBL29692092 0.75 NR1H4 (0.54) NR1H4FABP1
SCHEMBL24313821 0.74 NR1H4 (0.63) NR1H4HSD17B13
SCHEMBL30444280 0.74 NR1H4 (0.66) NR1H4FABP1HSD17B13FABP4

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-2022077161-A1 COMPOUNDS FOR MODULATING ACTIVITY OF FXR AND USES THEREOF GANNEX PHARMA CO., LTD. (CN) 2022-04-21 WO disclosed