SCHEMBL4784626

SCHEMBL4784626

CCc1ccc(Cc2cc3c(cc2Cl)OC(C)C[C@]32OC(COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.36
SLC5A2 P31639 15/20 0.35
SLC5A1 P13866 6/20 0.35
TACR2 P21452 1/20 0.33

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
SCHEMBL3797987 1.00 AKR1B1 (0.36) AKR1B1SLC5A2SLC5A1TACR2
SCHEMBL3797984 1.00 AKR1B1 (0.36) AKR1B1SLC5A2SLC5A1TACR2
SCHEMBL3804984 0.92 SLC5A2 (0.37) SLC5A2SLC5A1TACR2
SCHEMBL3804981 0.92 SLC5A2 (0.37) SLC5A2SLC5A1TACR2
SCHEMBL3802930 0.91 SLC5A2 (0.35) SLC5A2SLC5A1TACR2
SCHEMBL3802933 0.91 SLC5A2 (0.35) SLC5A2SLC5A1TACR2
SCHEMBL4785497 0.90 SLC5A2 (0.38) SLC5A2SLC5A1TACR2
SCHEMBL3802385 0.90 SLC5A2 (0.38) SLC5A2SLC5A1TACR2
SCHEMBL3802387 0.90 SLC5A2 (0.38) SLC5A2SLC5A1TACR2
SCHEMBL3803949 0.87 SLC5A2 (0.36) SLC5A2SLC5A1TACR2

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-2008083200-A2 SPIROHETEROCYCLIC GLYCOSIDES AND METHODS OF USE THERACOS, INC. (US) 2008-07-10 WO disclosed