SCHEMBL21697550

SCHEMBL21697550

OCC1CC(O)CC(c2cc(Cc3cc4ccccc4s3)c(Cl)cc2O)O1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 19/20 0.59
SLC5A1 P13866 10/20 0.59
CHRM1 P11229 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.36

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
SCHEMBL16160680 1.00 SLC5A2 (0.59) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL21697626 0.89 SLC5A2 (0.47) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL21697555 0.89 SLC5A2 (0.47) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL13271737 0.89 SLC5A2 (0.47) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL12662862 0.89 SLC5A2 (0.48) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL16160662 0.89 SLC5A2 (0.48) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL21697543 0.88 SLC5A2 (0.46) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL16160671 0.88 SLC5A2 (0.46) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL13271958 0.88 SLC5A2 (0.45) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3
SCHEMBL21697545 0.88 SLC5A2 (0.45) SLC5A2SLC5A1CHRM1ADRA1ASLC6A3

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-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed