SCHEMBL15501063

SCHEMBL15501063

CCCCC(C)/C=C\c1c(C)c(C(=O)C(C)CC)c2oc(=O)cc(CCC)c2c1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 16/20 0.51
▸ EPAS1 Q99814 16/20 0.51
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29934508 0.67 HIF1A (1.00) HIF1AEPAS1
SCHEMBL7028753 0.66 HIF1A (0.52) HIF1AEPAS1ALDH1A1HTTFBP1
SCHEMBL13261732 0.65 HIF1A (0.43) HIF1AEPAS1ALDH1A1HTTFBP1
SCHEMBL29517025 0.62 HIF1A (0.70) HIF1AEPAS1FBP1MAPTMEN1
SCHEMBL5914907 0.61 ALDH1A1 (0.53) HIF1AEPAS1ALDH1A1HTTMAPT
SCHEMBL5914896 0.60 ALDH1A1 (0.52) HIF1AEPAS1ALDH1A1HTTFBP1
SCHEMBL14220135 0.57 ALDH1A1 (0.51) HIF1AEPAS1ALDH1A1HTTMAPT
SCHEMBL6628665 0.56 CA9 (0.51) HIF1AEPAS1ALDH1A1HTTMAPT
SCHEMBL13016681 0.54 ALDH1A1 (0.52) HIF1AALDH1A1HTTMAPTMEN1
Rhodomyrtoxin B SCHEMBL12827333 0.54 MAPT (1.00) HIF1AEPAS1FBP1MAPTMEN1

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
EP-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 — — EP disclosed
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