SCHEMBL8936593

SCHEMBL8936593

CC(C)(C)[Si](OC[C@@H]1CC[C@H](n2cc(-c3cccs3)c(=O)[nH]c2=O)O1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.42
BCHE P06276 1/20 0.38
TYMS P04818 1/20 0.36
TOP2A P11388 6/20 0.35
TK1 P04183 2/20 0.34
RNASE1 P07998 1/20 0.34

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
SCHEMBL8936590 1.00 P2RY2 (0.42) P2RY2BCHETYMSTOP2ATK1
SCHEMBL8936607 1.00 P2RY2 (0.42) P2RY2BCHETYMSTOP2ATK1
SCHEMBL25374524 0.85 BCHE (0.50) BCHETOP2ATK1RNASE1
SCHEMBL30481508 0.85 BCHE (0.50) BCHETOP2ATK1RNASE1
SCHEMBL9126273 0.85 BCHE (0.50) BCHETOP2ATK1RNASE1
SCHEMBL9126280 0.85 BCHE (0.50) BCHETOP2ATK1RNASE1
SCHEMBL9129020 0.79 DUT (0.46) P2RY2BCHE
SCHEMBL9407407 0.79 DUT (0.46) P2RY2BCHE
SCHEMBL9129024 0.79 DUT (0.46) P2RY2BCHE
SCHEMBL8936683 0.78 P2RY2 (0.53) P2RY2TYMSRNASE1

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-5576429-A HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRICIDE; ANTITUMOR AGENT MEDIVIR AB (SE) 1996-11-19 US disclosed
WO-1989012061-A1 PYRIMIDINE NUCLEOSIDES AND INTERMEDIATES MEDIVIR AB (SE) 1989-12-14 WO disclosed