SCHEMBL20140088

SCHEMBL20140088

Cc1cc(OC(F)(F)F)c(C2(O)OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1Cc1ccc2c(c1)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 8/20 0.38
SLC5A2 P31639 8/20 0.38
PTPN1 P18031 4/20 0.31
CDC25B P30305 2/20 0.31
RXRA P19793 1/20 0.31
TACR2 P21452 2/20 0.31
PTPN2 P17706 1/20 0.30
PTPN11 Q06124 1/20 0.30
NT5E P21589 1/20 0.30
OPRK1 P41145 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
SCHEMBL20139464 1.00 SLC5A1 (0.38) SLC5A1SLC5A2PTPN1CDC25BRXRA
SCHEMBL20139387 0.93 SLC5A1 (0.38) SLC5A1SLC5A2PTPN1CDC25BTACR2
SCHEMBL20140115 0.93 SLC5A1 (0.39) SLC5A1SLC5A2PTPN1CDC25B
SCHEMBL20141619 0.88 SLC5A1 (0.43) SLC5A1SLC5A2PTPN1CDC25BRXRA
SCHEMBL20140047 0.84 SLC5A1 (0.35) SLC5A1SLC5A2PTPN1RXRATACR2
SCHEMBL20139724 0.83 SLC5A1 (0.40) SLC5A1SLC5A2PTPN1CDC25BTACR2
SCHEMBL20139983 0.83 SLC5A1 (0.40) SLC5A1SLC5A2PTPN1CDC25BTACR2
SCHEMBL20140226 0.83 SLC5A1 (0.45) SLC5A1SLC5A2PTPN1PTPN2PTPN11
SCHEMBL20140181 0.83 SLC5A1 (0.41) SLC5A1SLC5A2PTPN1
SCHEMBL20140244 0.83 SLC5A1 (0.40) SLC5A1SLC5A2PTPN1CDC25BTACR2

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