SCHEMBL6493076

SCHEMBL6493076

COc1cccc(C2C=Cc3ccc(O)cc3O2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
CYP19A1 P11511 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
KMT2A Q03164 3/20 0.40
HIF1A Q16665 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL4559678 0.85 CYP19A1 (0.43) NFKB1NFKB2RELACYP19A1CYP3A4
SCHEMBL17220878 0.84 NFKB1 (0.53) NFKB1NFKB2RELACYP19A1SMN1; SMN2
SCHEMBL17227888 0.84 NFKB1 (0.53) NFKB1NFKB2RELACYP19A1SMN1; SMN2
SCHEMBL30468827 0.81 NFKB1 (0.53) NFKB1NFKB2RELACYP19A1SMN1; SMN2
SCHEMBL25187265 0.80 NFKB1 (0.69) NFKB1NFKB2RELACYP19A1CYP3A4
SCHEMBL25264495 0.80 NFKB1 (0.69) NFKB1NFKB2RELACYP19A1CYP3A4
SCHEMBL31110640 0.77 NFKB1 (0.43) NFKB1NFKB2RELACYP19A1MEN1
SCHEMBL31110641 0.77 NFKB1 (0.43) NFKB1NFKB2RELACYP19A1MEN1
SCHEMBL30800496 0.77 NFKB1 (0.43) NFKB1NFKB2RELACYP19A1MEN1
SCHEMBL3672681 0.72 CA2 (0.50) NFKB1NFKB2RELASMN1; SMN2ALDH1A1

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
US-6951883-B2 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2005-10-04 US claimed