SCHEMBL29880652

SCHEMBL29880652

CC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2c2cccc(C(=O)O)c2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.67
FXR2 P51116 1/20 0.45

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
SCHEMBL1164066 1.00 NR1H4 (0.67) NR1H4FXR2
SCHEMBL12168777 0.92 NR1H4 (0.57) NR1H4FXR2
SCHEMBL18347360 0.92 NR1H4 (0.57) NR1H4FXR2
SCHEMBL12808690 0.89 NR1H4 (0.53) NR1H4FXR2
SCHEMBL12879253 0.88 NR1H4 (0.52) NR1H4FXR2
SCHEMBL498222 0.80 NR1H4 (1.00) NR1H4
SCHEMBL498221 0.80 NR1H4 (1.00) NR1H4
SCHEMBL3165576 0.80 NR1H4 (0.70) NR1H4
SCHEMBL498491 0.78 NR1H4 (0.64) NR1H4
SCHEMBL18843359 0.78 NR1H4 (0.51) NR1H4FXR2

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