SCHEMBL5599381

SCHEMBL5599381

COc1cc(C(=O)C=Cc2ccc3c(c2)C=CC(C)(C)O3)ccc1OCC=C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.53
▸ ALOX5 P09917 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ HIF1AN Q9NWT6 7/20 0.49
▸ ODC1 P11926 1/20 0.49
▸ ABCB1 P08183 1/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ MTNR1A P48039 1/20 0.47

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
SCHEMBL14606068 0.96 PTGES (0.56) PTGESALOX5PTPN1ABCG2HIF1AN
SCHEMBL16694310 0.89 ABCG2 (0.62) PTPN1ABCG2HIF1ANODC1ABCB1
SCHEMBL16694311 0.89 ABCG2 (0.62) PTPN1ABCG2HIF1ANODC1ABCB1
SCHEMBL5599975 0.85 ODC1 (0.65) PTPN1ABCG2HIF1ANODC1
SCHEMBL16694689 0.85 ABCG2 (0.62) PTPN1ABCG2HIF1ANODC1ABCB1
SCHEMBL16694688 0.85 ABCG2 (0.62) PTPN1ABCG2HIF1ANODC1ABCB1
SCHEMBL19365857 0.83 HIF1AN (0.65) PTPN1ABCG2HIF1ANODC1
SCHEMBL16865501 0.83 PTPN1 (0.57) PTPN1ABCG2HIF1ANODC1ABCB1
SCHEMBL14606067 0.81 ODC1 (0.68) PTPN1ABCG2HIF1ANODC1
SCHEMBL16865503 0.80 ODC1 (0.55) PTPN1ABCG2HIF1ANODC1

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-1764363-A2 SUBSTITUTED ACETOPHENONEDERIVATIVES Riemser Arzneimittel AG (DE) 2007-03-21 — — EP claimed
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