SCHEMBL9308993

SCHEMBL9308993

O=C1OC(=O)c2cc3c(cc21)CCOC3

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDC25B P30305 1/20 0.33
ALDH1A1 P00352 1/20 0.32
STING1 Q86WV6 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL4110804 0.85 ALOX15 (0.42) ALOX15TDP1CDC25BALDH1A1
SCHEMBL23379742 0.80 TDP1 (0.46) ALOX15TDP1CDC25BALDH1A1
SCHEMBL22694265 0.80 TDP1 (0.46) ALOX15TDP1CDC25BALDH1A1
SCHEMBL4110777 0.76 CDC25B (0.50) ALOX15TDP1CDC25BALDH1A1
SCHEMBL23379780 0.76 CDC25B (0.50) ALOX15TDP1CDC25BALDH1A1
SCHEMBL4115275 0.76 CDC25B (0.56) ALOX15TDP1CDC25BALDH1A1
SCHEMBL23379738 0.74 CDC25B (0.48) ALOX15TDP1CDC25BALDH1A1
SCHEMBL13822493 0.72 GRIN2D (0.33) CDC25BALDH1A1
SCHEMBL29853819 0.71 MEN1 (0.39) STING1PRMT5WDR77
SCHEMBL16744282 0.71 ALOX15 (0.46) ALOX15TDP1CDC25BALDH1A1

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-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed