SCHEMBL7091029

SCHEMBL7091029

COc1ccc(C(O[C@H]2[C@@H](NC(=O)C(F)(F)F)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 3/20 0.40
P2RY14 Q15391 4/20 0.38
P2RY6 Q15077 4/20 0.37
P2RY2 P41231 7/20 0.36
P2RY4 P51582 2/20 0.36
TYMP P19971 1/20 0.36
P2RY12 Q9H244 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL7091030 1.00 DUT (0.40) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL7094827 0.89 SLC28A1 (0.41) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL7094828 0.89 SLC28A1 (0.41) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL7094033 0.88 P2RY14 (0.38) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL25398449 0.86 DUT (0.45) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL779045 0.85 DUT (0.46) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL779046 0.85 DUT (0.46) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL7094035 0.84 P2RY14 (0.37) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL7091665 0.82 DUT (0.41) DUTP2RY14P2RY6P2RY2P2RY4
SCHEMBL7091663 0.82 DUT (0.41) DUTP2RY14P2RY6P2RY2P2RY4

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