SCHEMBL7094035

SCHEMBL7094035

COc1ccc(C(OC2C(NC(=O)C(F)(F)F)[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 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.37
P2RY6 Q15077 4/20 0.35
P2RY2 P41231 6/20 0.34
P2RY12 Q9H244 2/20 0.34
P2RY4 P51582 1/20 0.34
TYMP P19971 1/20 0.34
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
DUT P33316 3/20 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
SCHEMBL7094827 0.89 SLC28A1 (0.41) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL7094828 0.89 SLC28A1 (0.41) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL7094038 0.86 P2RY14 (0.34) P2RY14P2RY6
SCHEMBL7094033 0.85 P2RY14 (0.38) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL7091029 0.84 DUT (0.40) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL7091030 0.84 DUT (0.40) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL7091635 0.83 P2RY14 (0.38) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL9547057 0.80 TYMP (0.48) P2RY14P2RY6P2RY2P2RY12P2RY4
SCHEMBL25399237 0.74 SLC28A1 (0.46) P2RY14P2RY6P2RY2P2RY12P2RY4
1,4-Dimethoxybenzene SCHEMBL9003907 0.74 SLC28A1 (0.55) P2RY14P2RY6P2RY2P2RY4SLC28A1

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