SCHEMBL28530823

SCHEMBL28530823

CCCCC1(CCCC)CN(c2ccc([N+](=O)[O-])cc2)c2cc(SC)c(O/C=C/C(=O)OC)cc2S(O)(O)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL29188978 0.94 LMNA (0.33) NR1H4
SCHEMBL22502857 0.93 NR1H4 (0.35) NR1H4
SCHEMBL29462861 0.93 NR1H4 (0.35) NR1H4
SCHEMBL28531369 0.93 NR1H4 (0.34) NR1H4
SCHEMBL22476245 0.93 NR1H4 (0.34) NR1H4
SCHEMBL29188954 0.91 LMNA (0.33) NR1H4
SCHEMBL28538461 0.90 NR1H4 (0.35) NR1H4
SCHEMBL22476280 0.90 NR1H4 (0.34) NR1H4
SCHEMBL28530342 0.90 NR1H4 (0.34) NR1H4
SCHEMBL28529162 0.88 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-A Benzothia (di) azepanes and their use as bile acid modulators 阿尔比里奥公司 2021-03-05 CN disclosed