SCHEMBL22923979

SCHEMBL22923979

COc1cc(C)c(C(N)=O)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MKNK2 Q9HBH9 2/20 0.45
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL31638876 0.82 CYP3A4 (0.63) POLBKMT2ACYP3A4TDP1MAPT
SCHEMBL28502339 0.81 POLB (0.48) POLBKMT2ACYP3A4TDP1MAPT
SCHEMBL9720555 0.78 FASN (0.46) POLBKMT2ACYP3A4TDP1MAPT
SCHEMBL31257914 0.77 POLB (0.52) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL14094952 0.76 CYP3A4 (0.68) POLBKMT2ACYP3A4TDP1MAPT
SCHEMBL347917 0.76 CYP3A4 (0.51) POLBKMT2ACYP3A4MAPTHPGD
SCHEMBL30798286 0.74 POLB (0.46) POLBCYP3A4TDP1MAPTHPGD
SCHEMBL5329670 0.74 MAP2K1 (0.50) POLBCYP3A4TDP1MAPTHPGD
SCHEMBL2024212 0.74 POLB (0.46) POLBCYP3A4TDP1MAPTHPGD
SCHEMBL1004368 0.74 ACHE (0.48) POLBCYP3A4TDP1MKNK2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646319-A C11-ring-substituted 13-membered macrolides and their use 齐卡尼治疗股份有限公司 2021-11-12 CN disclosed
CN-113573779-A C10-alkylene substituted 13-membered macrolides and their use 齐卡尼治疗股份有限公司 2021-10-29 CN disclosed
WO-2021015177-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2021-01-28 WO disclosed