SCHEMBL13261732

SCHEMBL13261732

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.43
▸ EPAS1 Q99814 11/20 0.43
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GAA P10253 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ CASP1 P29466 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
SCHEMBL15501063 0.65 HIF1A (0.51) HIF1AEPAS1ALDH1A1FBP1MAPK1
SCHEMBL29520661 0.60 HIF1A (1.00) HIF1AEPAS1
Rhodomyrtoxin SCHEMBL12210330 0.57 FBP1 (0.49) HIF1AEPAS1FBP1MAPK1BCL2L1
SCHEMBL14645012 0.57 FBP1 (0.46) HIF1AEPAS1FBP1MAPK1BCL2L1
Isodispar B SCHEMBL29516983 0.56 HIF1A (0.64) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL11861985 0.54 KDM4E (0.58) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL504402 0.53 MEN1 (0.55) HIF1AEPAS1FBP1MAPK1BCL2L1
SCHEMBL7221645 0.53 ELANE (0.58) ALDH1A1KDM4EFBP1RAB9AGAA
SCHEMBL7028753 0.53 HIF1A (0.52) HIF1AEPAS1ALDH1A1HPGDKDM4E
SCHEMBL11895218 0.52 FFAR1 (0.55) ALDH1A1HPGDKDM4EFBP1RAB9A

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-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 — — EP disclosed
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