SCHEMBL21097605

SCHEMBL21097605

CCC1(C)O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
FGF2 P09038 1/20 0.33
IDUA P35475 2/20 0.33
PKM P14618 1/20 0.30
KAT2A Q92830 1/20 0.30
AKT1 P31749 1/20 0.30
SUCNR1 Q9BXA5 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
SCHEMBL18334882 0.78 IDUA (0.33) IDUAKAT2ASUCNR1
SCHEMBL16750226 0.76 SUCNR1 (0.35) APLNRIDUASUCNR1
SCHEMBL29740164 0.75 IDUA (0.33) APLNRIDUASUCNR1
SCHEMBL13858344 0.75 IDUA (0.33) APLNRIDUASUCNR1
SCHEMBL21695641 0.74 IDUA (0.30) IDUA
SCHEMBL15355541 0.72 SLC5A1 (0.36)
SCHEMBL19806791 0.70 IDUA (0.31) IDUASUCNR1
SCHEMBL31028169 0.70 SUCNR1 (0.36) IDUASUCNR1
SCHEMBL16076771 0.69 PYGB (0.45)
SCHEMBL23247975 0.68 IDUA (0.38) IDUASUCNR1

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
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed