SCHEMBL9908655

SCHEMBL9908655

CCCCCCCCCCCCCCCCCCCCCCO[C@H]1C(OC(=O)CCC(=O)NC)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
P2RY12 Q9H244 3/20 0.36
P2RY2 P41231 3/20 0.36
P2RY14 Q15391 1/20 0.36
TK2 O00142 7/20 0.35
P2RY6 Q15077 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NT5E P21589 1/20 0.32

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
SCHEMBL12371804 0.95 TYMP (0.40) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL18286616 0.93 TYMP (0.40) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL18286621 0.92 TYMP (0.39) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL12371805 0.91 TYMP (0.41) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL30733464 0.90 TYMP (0.38) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL30733474 0.90 TYMP (0.38) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL4081765 0.89 TK2 (0.43) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL30733450 0.87 TYMP (0.38) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL30733458 0.87 TYMP (0.38) TYMPP2RY12P2RY2P2RY14TK2
SCHEMBL30733456 0.86 TYMP (0.36) TYMPP2RY12P2RY2P2RY14TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107511-A1 OLIGONUCLEOTIDE END CAPS BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9512164-B2 Oligonucleotide end caps ALNYLAM PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20120142101-A1 OLIGONUCLEOTIDE END CAPS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed