SCHEMBL27816898

SCHEMBL27816898

COc1ccc(C(=O)C=Cc2c(O)cc(OC)c(OC)c2OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.67
▸ CXCL12 P48061 1/20 0.64
▸ ABCG2 Q9UNQ0 3/20 0.62
▸ GABRA3 P34903 1/20 0.61
▸ GABRA2 P47869 1/20 0.61
▸ GABRB2 P47870 1/20 0.61
▸ DPP4 P27487 2/20 0.60
▸ PTPN1 P18031 2/20 0.60
▸ LMNA P02545 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TNFRSF1A P19438 2/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MKNK2 Q9HBH9 1/20 0.56
▸ MAOA P21397 2/20 0.55
▸ F3 P13726 1/20 0.55
▸ MAOB P27338 1/20 0.54

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
SCHEMBL6714554 0.88 TNFRSF1A (0.59) KRASABCG2LMNAMAPTTNFRSF1A
SCHEMBL27860092 0.88 TNFRSF1A (0.59) KRASABCG2LMNAMAPTTNFRSF1A
SCHEMBL8052896 0.84 MAOB (0.61) KRASCXCL12ABCG2GABRA3GABRA2
SCHEMBL14837108 0.84 ABCG2 (0.78) KRASCXCL12ABCG2GABRA3GABRA2
SCHEMBL5606932 0.84 ABCG2 (0.78) KRASCXCL12ABCG2GABRA3GABRA2
SCHEMBL29008269 0.81 CXCL12 (0.64) KRASCXCL12ABCG2GABRA3GABRA2
SCHEMBL28561734 0.81 KRAS (0.61) KRASCXCL12ABCG2MAOA
SCHEMBL28561736 0.81 KRAS (0.61) KRASCXCL12ABCG2MAOA
SCHEMBL615818 0.81 KRAS (1.00) KRASCXCL12ABCG2LMNAMAPT
SCHEMBL13018517 0.81 KRAS (1.00) KRASCXCL12ABCG2LMNAMAPT

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
CN-102134186-A Method for preparing scutellarin intermediate KUNMING PHARMACEUTICAL CORP 2011-07-27 — — CN disclosed
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