SCHEMBL8692679

SCHEMBL8692679

C=C[C@H](C)[C@H](O)c1c(O)cc(OC(C)C)c2c(CCC)cc(=O)oc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.39
▸ EPAS1 Q99814 6/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ HPGD P15428 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HCAR2 Q8TDS4 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ FFAR3 O14843 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL8690519 1.00 HIF1A (0.39) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL8690517 1.00 HIF1A (0.39) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL8689176 0.84 HIF1A (0.35) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL6629990 0.73 NPSR1 (0.39) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL8927758 0.72 ALDH1A1 (0.53) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL8927755 0.72 ALDH1A1 (0.53) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL6629994 0.68 ALDH1A1 (0.41) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL6631879 0.68 KDM4E (0.47) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL8692709 0.66 ALDH1A1 (0.55) HIF1AEPAS1ALDH1A1HTTKDM4E
SCHEMBL8689922 0.66 ALDH1A1 (0.55) HIF1AEPAS1ALDH1A1HTTKDM4E

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-5843990-A Pyran-chromenone compounds, their synthesis and anti-HIV activity THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1998-12-01 — — US disclosed
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