SCHEMBL24940425

SCHEMBL24940425

CCCCC1(CCCC)CN(c2ccc(NC(=O)C3CCCC3)cc2)c2cc(SC)c(O/C=C(\F)C(=O)O)cc2[S+]([O-])C1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
ENPP2 Q13822 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21589723 0.90 NR1H4 (0.31)
SCHEMBL21589680 0.89 NR1H4 (0.31)
SCHEMBL21589851 0.89 NR1H4 (0.33)
SCHEMBL21589705 0.89
SCHEMBL21589542 0.87 NR1H4 (0.30)
SCHEMBL21589815 0.87 NR1H4 (0.35)
SCHEMBL21585987 0.86 NR1H4 (0.34) ENPP3ENPP1ENPP2RAB9A
SCHEMBL21585988 0.86 NR1H4 (0.34) ENPP3ENPP1ENPP2RAB9A
SCHEMBL22476218 0.85 NR1H4 (0.33) ENPP3ENPP1ENPP2RAB9A
SCHEMBL21585989 0.85 NR1H4 (0.33) ENPP3ENPP1ENPP2RAB9A

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