SCHEMBL24940643

SCHEMBL24940643

CCCCC1(CCCC)CSc2cc(O/C=C(\F)C(=O)OCC)c(SC)cc2N(c2ccc(O)cc2)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
SCHEMBL23483930 0.94
SCHEMBL24940449 0.91 ALDH1A1 (0.31)
SCHEMBL23484160 0.91
SCHEMBL21589707 0.86 NR1H4 (0.35) NR1H4
SCHEMBL23483963 0.85 NR1H4 (0.30) NR1H4
SCHEMBL23484364 0.85 NR1H4 (0.31) NR1H4
SCHEMBL21589691 0.85 NR1H4 (0.35) NR1H4
SCHEMBL21589653 0.85 NR1H4 (0.33) NR1H4
SCHEMBL21589647 0.85 NR1H4 (0.39) NR1H4
SCHEMBL29462821 0.85 NR1H4 (0.39) 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
EP-3802504-B1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2023-01-18 EP disclosed