SCHEMBL7091665

SCHEMBL7091665

COc1ccc(C(OC2C(SC(=O)c3ccccc3)[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 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.41
P2RY14 Q15391 4/20 0.38
TYMP P19971 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY2 P41231 7/20 0.34
P2RY6 Q15077 4/20 0.34
P2RY12 Q9H244 4/20 0.33
P2RY4 P51582 2/20 0.33
GAPDH P04406 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
SCHEMBL7091663 1.00 DUT (0.41) DUTP2RY14TYMPMEN1USP2
SCHEMBL7092442 0.89 SLC28A1 (0.41) DUTP2RY14TYMPP2RY2P2RY6
SCHEMBL7092444 0.89 SLC28A1 (0.41) DUTP2RY14TYMPP2RY2P2RY6
SCHEMBL7091632 0.87 P2RY14 (0.38) P2RY14TYMPMEN1USP2POLB
SCHEMBL779045 0.86 DUT (0.46) DUTP2RY14TYMPP2RY2P2RY6
SCHEMBL779046 0.86 DUT (0.46) DUTP2RY14TYMPP2RY2P2RY6
SCHEMBL25398449 0.85 DUT (0.45) DUTP2RY14TYMPP2RY2P2RY6
SCHEMBL7091635 0.84 P2RY14 (0.38) P2RY14TYMPP2RY2P2RY6P2RY12
SCHEMBL7094024 0.83 DUT (0.48) DUTP2RY14P2RY2P2RY6P2RY4
SCHEMBL7094023 0.83 DUT (0.48) DUTP2RY14P2RY2P2RY6P2RY4

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