SCHEMBL20007046

SCHEMBL20007046

COc1ccc(C(=O)/C=C\Nc2ccc(/C=C\c3cc(O)c(OC)c(OC)c3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.67
▸ GAA P10253 2/20 0.67
▸ KRAS P01116 1/20 0.61
▸ MAPT P10636 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ RAB9A P51151 6/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ PKM P14618 1/20 0.56
▸ CXCL12 P48061 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 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
SCHEMBL17237334 0.94 POLB (0.76) POLBGAAKRASMAPTMEN1
SCHEMBL17237331 0.94 POLB (0.76) POLBGAAKRASMAPTMEN1
SCHEMBL20007499 0.93 POLB (0.56) POLBGAAKRASMAPTMEN1
SCHEMBL17244273 0.91 SMN1; SMN2 (0.61) POLBGAAKRASMAPTMEN1
SCHEMBL20007407 0.88 KRAS (0.62) POLBGAAKRASMAPTMEN1
SCHEMBL17236826 0.87 POLB (0.62) POLBGAAKRASMAPTMEN1
SCHEMBL17236831 0.87 POLB (0.62) POLBGAAKRASMAPTMEN1
SCHEMBL17237026 0.86 KRAS (0.65) POLBGAAKRASMAPTMEN1
SCHEMBL17237029 0.86 KRAS (0.65) POLBGAAKRASMAPTMEN1
SCHEMBL17236739 0.85 POLB (0.60) POLBGAAMAPTMEN1KMT2A

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-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 — — EP disclosed
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