SCHEMBL29880650

SCHEMBL29880650

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2c2cccc(C(=O)O)c2)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.77
▸ LIFR P42702 4/20 0.68
▸ FXR2 P51116 1/20 0.66
▸ MEN1 O00255 1/20 0.65
▸ FABP1 P07148 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ HSD17B13 Q7Z5P4 1/20 0.65

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
SCHEMBL1163955 1.00 NR1H4 (0.77) NR1H4LIFRFXR2MEN1FABP1
SCHEMBL17079110 0.93 NR1H4 (0.69) NR1H4LIFRFXR2MEN1FABP1
SCHEMBL19760095 0.93 NR1H4 (0.77) NR1H4LIFRFXR2
SCHEMBL12168782 0.92 NR1H4 (0.73) NR1H4LIFRFXR2
SCHEMBL29880955 0.87 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL12879039 0.87 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL1163928 0.87 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL17087847 0.87 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL17087849 0.87 NR1H4 (1.00) NR1H4FXR2HSD17B13
SCHEMBL12168956 0.87 NR1H4 (1.00) NR1H4FXR2HSD17B13

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-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 — — CN disclosed
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