SCHEMBL7091635

SCHEMBL7091635

COc1ccc(C(OC2C(SC(=O)c3ccccc3)[C@@H](n3ccc(=O)[nH]c3=O)O[C@H]2CC(CC(=O)O)C(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.38
TYMP P19971 1/20 0.34
P2RY2 P41231 6/20 0.34
P2RY6 Q15077 3/20 0.34
SLC28A1 O00337 1/20 0.34
SLC28A2 O43868 1/20 0.34
SLC29A1 Q99808 1/20 0.34
SLC28A3 Q9HAS3 1/20 0.34
P2RY12 Q9H244 4/20 0.33
P2RY4 P51582 2/20 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
SCHEMBL7092442 0.88 SLC28A1 (0.41) P2RY14TYMPP2RY2P2RY6SLC28A1
SCHEMBL7092444 0.88 SLC28A1 (0.41) P2RY14TYMPP2RY2P2RY6SLC28A1
SCHEMBL7091636 0.85 P2RY14 (0.34) P2RY14
SCHEMBL7091632 0.85 P2RY14 (0.38) P2RY14TYMPP2RY2P2RY6SLC28A1
SCHEMBL7091663 0.84 DUT (0.41) P2RY14TYMPP2RY2P2RY6P2RY12
SCHEMBL7091665 0.84 DUT (0.41) P2RY14TYMPP2RY2P2RY6P2RY12
SCHEMBL7094035 0.83 P2RY14 (0.37) P2RY14TYMPP2RY2P2RY6SLC28A1
SCHEMBL7096151 0.78 P2RY14 (0.33) P2RY14TYMP
SCHEMBL781654 0.74 SLC28A1 (0.47) P2RY14TYMPP2RY2P2RY6SLC28A1
SCHEMBL781655 0.74 SLC28A1 (0.47) P2RY14TYMPP2RY2P2RY6SLC28A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843684-B1 UNIVERSAL SOLID SUPPORTS AND METHODS FOR THEIR USE BECKMAN COULTER INC (US) 2003-08-20 EP disclosed
US-5869696-A OLIGONUCLEOTIDE CLEAVING REAGENT CONSISTING OF AQUEOUS SOLUTION OF METHYLAMINE AND AQUEOUS SOLUTION OF DIMETHYLAMINE OR TRIMETHYLAMINE BECKMAN INSTRUMENTS, INC. (US) 1999-02-09 US disclosed