SCHEMBL28533803

SCHEMBL28533803

CCCCC1(CC)CN(c2ccccc2)c2cc(N(C)C)c(O/C=C/C(=O)OC(C)(C)C)cc2S(O)(O)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 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
SCHEMBL21589831 0.93 SLC10A2 (0.35) SLC10A2
SCHEMBL29462838 0.93 SLC10A2 (0.35) SLC10A2
SCHEMBL22476244 0.91 SLC10A2 (0.32) SLC10A2
SCHEMBL28529191 0.90 SLC10A2 (0.31) SLC10A2
SCHEMBL28536821 0.88 SLC10A2 (0.32) SLC10A2
SCHEMBL22476221 0.88 NR1H4 (0.32) SLC10A2
SCHEMBL22476240 0.88 NR1H4 (0.32) SLC10A2
SCHEMBL21586074 0.88 NR1H4 (0.32) SLC10A2
SCHEMBL28535317 0.87 SLC10A2 (0.30) SLC10A2
SCHEMBL28524633 0.85 KDM4E (0.30)

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 2 patents. 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
CN-112449637-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN disclosed