SCHEMBL27747646

SCHEMBL27747646

CCN(CC)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.69
PLK1 P53350 1/20 0.69
BACE1 P56817 1/20 0.69
KDM1A O60341 3/20 0.62
GABRP O00591 1/20 0.62
GABRD O14764 1/20 0.62
CCNT1 O60563 1/20 0.62
PKM P14618 1/20 0.62
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
CCNA2 P20248 1/20 0.62
CCNC P24863 1/20 0.62
CDK2 P24941 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
PTGS2 P35354 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRB2 P47870 1/20 0.62

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
SCHEMBL27907984 0.89 ACHE (0.66) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL30662542 0.89 ACHE (0.66) ACHEPLK1BACE1KDM1AGABRP
Moslosooflavone SCHEMBL6070206 0.82 ACHE (1.00) ACHEPLK1BACE1KDM1AGABRP
Moslosooflavone SCHEMBL29822243 0.82 ACHE (1.00) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL30284966 0.82 ACHE (0.67) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL21335354 0.82 ACHE (0.77) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL27747645 0.81 ACHE (0.66) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL8934497 0.81 CYP2D6 (0.52) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL30412267 0.80 ACHE (0.65) ACHEPLK1BACE1KDM1AGABRP
SCHEMBL29588215 0.80 ACHE (0.65) ACHEPLK1BACE1KDM1AGABRP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486703-B Flavone compound with antineoplastic activity, preparation thereof and uses thereof UNIV CHINA PHARMA 2011-05-04 CN disclosed
CN-101486703-A Flavone compound with antineoplastic activity, preparation thereof and uses thereof UNIV CHINA PHARMA (CN) 2009-07-22 CN disclosed