SCHEMBL20139724

SCHEMBL20139724

Cc1ccc(C2(O)OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1Cc1ccc2c(c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.40
SLC5A2 P31639 6/20 0.40
TACR2 P21452 3/20 0.33
PTPN1 P18031 4/20 0.32
CDC25B P30305 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPN11 Q06124 1/20 0.32
NT5E P21589 1/20 0.31
HTR1A P08908 1/20 0.31
OPRM1 P35372 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL20139983 1.00 SLC5A1 (0.40) SLC5A1SLC5A2TACR2PTPN1CDC25B
SCHEMBL20139485 0.91 SLC5A2 (0.40) SLC5A1SLC5A2PTPN1PTPN2PTPN11
SCHEMBL20140110 0.90 TACR2 (0.32) SLC5A1SLC5A2TACR2PTPN1CDC25B
SCHEMBL20139470 0.89 PTPN1 (0.33) TACR2PTPN1CDC25BPTPN2PTPN11
SCHEMBL1457373 0.89 PTPN1 (0.37) SLC5A2TACR2PTPN1CDC25BPTPN2
SCHEMBL20141619 0.87 SLC5A1 (0.43) SLC5A1SLC5A2TACR2PTPN1CDC25B
SCHEMBL20139459 0.86 SLC5A1 (0.32) SLC5A1SLC5A2PTPN1PTPN2PTPN11
SCHEMBL20139464 0.83 SLC5A1 (0.38) SLC5A1SLC5A2TACR2PTPN1CDC25B
SCHEMBL20140088 0.83 SLC5A1 (0.38) SLC5A1SLC5A2TACR2PTPN1CDC25B
SCHEMBL20139932 0.83 TACR2 (0.32) SLC5A1SLC5A2TACR2PTPN1CDC25B

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-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed