SCHEMBL24445673

SCHEMBL24445673

Cc1cc(F)cc(C)c1-c1noc(C2CC2)c1COc1ccc(C2(N=O)CN(c3cc(C(=O)O)ccn3)C2)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.75
HSD17B13 Q7Z5P4 1/20 0.69

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
SCHEMBL24445686 0.92 NR1H4 (0.75) NR1H4HSD17B13
SCHEMBL24519844 0.90 NR1H4 (0.84) NR1H4HSD17B13
SCHEMBL19698939 0.90 NR1H4 (0.91) NR1H4HSD17B13
SCHEMBL19689514 0.86 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL29760423 0.86 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL19698940 0.84 NR1H4 (0.88) NR1H4HSD17B13
SCHEMBL20749569 0.84 NR1H4 (0.77) NR1H4HSD17B13
SCHEMBL25724183 0.83 NR1H4 (0.73) NR1H4HSD17B13
SCHEMBL29139864 0.83 NR1H4 (0.71) NR1H4HSD17B13
SCHEMBL24445677 0.83 NR1H4 (0.63) 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
EP-3587412-B1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2022-05-25 EP disclosed