SCHEMBL27981979

SCHEMBL27981979

COc1cc(O)c(C(C)=O)c2c1CCC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.47
▸ NFKB1 P19838 3/20 0.45
▸ NFKB2 Q00653 3/20 0.45
▸ RELA Q04206 3/20 0.45
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL12599531 0.85 HPGD (0.42) PDE4DNFKB1NFKB2RELACYP3A4
SCHEMBL12599530 0.72 CTSB (0.58) PDE4DNFKB1NFKB2RELACYP3A4
SCHEMBL21784054 0.69 PTGES (0.49) PDE4DUSP2CYP3A4MAPK1SMN1; SMN2
SCHEMBL10910390 0.68 CTSB (0.46) PDE4DNFKB1NFKB2RELAHPGD
SCHEMBL5723158 0.68 PDE4D (0.49) PDE4DNFKB1NFKB2RELAHPGD
SCHEMBL27949359 0.68 HSP90AA1 (0.57) PDE4DNFKB1NFKB2RELAHSP90AA1
SCHEMBL11836307 0.67 CYP3A4 (0.43) USP2CYP3A4MAPK1SMN1; SMN2HPGD
SCHEMBL5722967 0.67 PDE4D (0.48) PDE4DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL10908300 0.65 PLA2G2A (0.53) HTT
SCHEMBL11844073 0.65 HK2 (0.41) USP2CYP3A4MAPK1SMN1; SMN2HPGD

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-104072511-A Synthesis method of benzopyranyl flavone TAICANG BOYI CHEMICAL CO LTD 2014-10-01 — — CN disclosed
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