SCHEMBL12733980

SCHEMBL12733980

COCC1OC(n2ccc3c(=O)[nH]c(C)cc32)C[C@H]1OC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.34
▸ TK1 P04183 4/20 0.32
▸ TYMS P04818 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TOP2A P11388 3/20 0.32
▸ DUT P33316 1/20 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
SCHEMBL12733981 0.88 TYMS (0.43) TYMSDUT
SCHEMBL12958824 0.78 POLB (0.38) RNASE1HPGD
SCHEMBL12733983 0.78 TK1 (0.50) TK1
SCHEMBL13282414 0.78 DUT (0.48) DUT
SCHEMBL19680120 0.78 DUT (0.48) DUT
SCHEMBL20209782 0.78 DUT (0.48) DUT
SCHEMBL19687652 0.78 DUT (0.48) DUT
SCHEMBL19687651 0.78 DUT (0.48) DUT
SCHEMBL12360859 0.74 TK1 (0.59) RNASE1TK1
SCHEMBL16426201 0.74 TK1 (0.59) RNASE1TK1

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-20110092382-A1 Modified Nucleic Acid Probes AFFYMETRIX, INC. (US) 2011-04-21 — — US disclosed
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