Sugi Predict

Sugi Predict / Compounds / SCHEMBL327187

SCHEMBL327187

SCHEMBL327187

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OCCOCCN(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 9/20 0.35
▸ TYMP P19971 1/20 0.34
▸ TK1 P04183 3/20 0.31

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
SCHEMBL31570211 0.93 TYMP (0.36) TK2TYMPTK1
SCHEMBL2113954 0.92 TYMP (0.36) TK2TYMPTK1
SCHEMBL7261209 0.91 TYMP (0.36) TK2TYMPTK1
SCHEMBL13205012 0.88 TYMP (0.37) TK2TYMPTK1
SCHEMBL13714443 0.88 TYMP (0.37) TK2TYMPTK1
SCHEMBL21551824 0.85 TYMP (0.38) TK2TYMPTK1
SCHEMBL21551822 0.85 TYMP (0.38) TK2TYMPTK1
SCHEMBL13715716 0.84 TYMP (0.37) TYMP
SCHEMBL3927922 0.84 TYMP (0.37) TYMP
SCHEMBL22073385 0.83 P2RY2 (0.37) TYMP

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-8093224-B2 Antisense modulation of C-reactive protein expression ISIS PHARMACEUTICALS, INC. (US) 2012-01-10 — — US disclosed
US-20110117646-A1 ANTISENSE MODULATION OF C-REACTIVE PROTEIN EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — US disclosed
US-6242590-B1 Antisense modulation of zinc finger protein-217 expression ISIS PHARMACEUTICALS, INC. 2001-06-05 — — US disclosed