SCHEMBL8535195

SCHEMBL8535195

COc1ccc(C(OC[C@@H]2O[C@H](n3cc(F)c(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 11/20 0.51
▸ HSP90AA1 P07900 1/20 0.47
▸ P2RY6 Q15077 2/20 0.41
▸ P2RY14 Q15391 2/20 0.41
▸ NT5E P21589 1/20 0.41
▸ TK2 O00142 1/20 0.41
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8533223 1.00 TYMP (0.51) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL9220904 0.94 HSP90AA1 (0.51) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL9220896 0.94 HSP90AA1 (0.51) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL13205006 0.92 TYMP (0.52) TYMPTK2
SCHEMBL13714390 0.92 TYMP (0.52) TYMPTK2
SCHEMBL3068344 0.92 TYMP (0.52) TYMPTK2
SCHEMBL9219803 0.88 HSP90AA1 (0.51) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL9219798 0.88 HSP90AA1 (0.51) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL8534788 0.88 TYMP (0.62) TYMPHSP90AA1P2RY6P2RY14NT5E
SCHEMBL8534790 0.88 TYMP (0.62) TYMPHSP90AA1P2RY6P2RY14NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741900-A REACTING PROTECTED FLUOROURIDINE WITH SUCCINIC ANHYDRIDE, ATTACHING TO LONG-CHAIN ALKYLAMINE CONTROLLED PORE GLASS IN ANHYDROUS PYRIDINE IN PRESENCE OF DIMETHYLAMINOPYRIDINE AND DIMETHYLAMINOPROPYL/ETHYLCARBODIIMIDE THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-04-21 — — US disclosed
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