SCHEMBL7708532

SCHEMBL7708532

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OC)[C@@H]2I)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.46
TK2 O00142 11/20 0.42
TK1 P04183 7/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL7702799 0.90 TYMP (0.54) TYMPTK2TK1
SCHEMBL7702801 0.90 TYMP (0.54) TYMPTK2TK1
SCHEMBL22984025 0.90 TYMP (0.54) TYMPTK2TK1
SCHEMBL16566911 0.88 TYMP (0.54) TYMPTK2TK1
SCHEMBL16566912 0.88 TYMP (0.54) TYMPTK2TK1
SCHEMBL16401541 0.88 TYMP (0.54) TYMPTK2TK1
SCHEMBL16401538 0.88 TYMP (0.54) TYMPTK2TK1
SCHEMBL2577261 0.88 TK2 (0.46) TK2TK1HSP90AA1
SCHEMBL3069438 0.85 TYMP (0.62) TYMPTK2TK1
SCHEMBL9710318 0.85 TYMP (0.62) TYMPTK2TK1

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
US-6359124-B1 NUCLEOTIDE SEQUENCES FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF ARRHYTHMIA, LONG Q-T SYNDROME AND CANCERS ISIS PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-5965722-A OLIGONUCLEOTIDE WITH METHYLENE(METHYLIMINO) LINKAGES ALTERNATING WITH PHOSPHOROTHIOATE OR PHOSPHODIESTER LINKAGES; WITH INCREASED NUCLEASE RESISTANCE, STABILITY, AFFINITY FOR MESSENGER RNA; ANTICARCINOGENIC/ANTIARRHYTHMIA AGENTS ISIS PHARMACEUTICALS, INC. (US) 1999-10-12 US disclosed