SCHEMBL29189017

SCHEMBL29189017

CCCCC1(CCCC)CN(c2ccc(F)c(F)c2)c2cc(SC)c(O/C=C(\F)C(=O)OCC)cc2S(O)(O)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL21589709 0.93 NR1H4 (0.33) NR1H4
SCHEMBL29462771 0.93 NR1H4 (0.33) NR1H4
SCHEMBL21586043 0.92 NR1H4 (0.33) NR1H4
SCHEMBL22476188 0.92 NR1H4 (0.33) NR1H4
SCHEMBL29189012 0.90 NR1H4 (0.34) NR1H4
SCHEMBL29189042 0.88 NR1H4 (0.32) NR1H4
SCHEMBL24940449 0.85 ALDH1A1 (0.31)
SCHEMBL29403492 0.85 NR1H4 (0.34) NR1H4
SCHEMBL23476685 0.85 NR1H4 (0.34) NR1H4
SCHEMBL21586040 0.85 NR1H4 (0.34) NR1H4

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-112449637-B Benzothiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-03-19 CN disclosed