SCHEMBL29624580

SCHEMBL29624580

COc1cc(C#Cc2ccc3cc(O)ccc3c2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.59
BCR P11274 6/20 0.59
ABCB1 P08183 5/20 0.59
APP P05067 1/20 0.56
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TTR P02766 1/20 0.43
CYP1A1 P04798 1/20 0.43
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NQO2 P16083 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL21836129 1.00 ABL1 (0.59) ABL1BCRABCB1APPESR1
SCHEMBL15014329 0.89 APP (0.72) ABL1BCRABCB1APPESR1
SCHEMBL1005880 0.85 APP (0.77) ABL1BCRABCB1APPESR2
SCHEMBL21741209 0.84 CYP1A2 (0.54) ABL1BCRABCB1APPESR1
SCHEMBL21967023 0.82 CYP1A2 (0.52) ABL1BCRABCB1APPESR1
SCHEMBL674040 0.78 ALDH1A1 (0.65) ABL1BCRABCB1APPKDM4E
SCHEMBL29624585 0.78 GLA (0.47) APPESR1CASP3SENP8SENP7
SCHEMBL22750625 0.77 CYP1A2 (0.52) ABL1BCRABCB1APPESR1
SCHEMBL29946581 0.77 CYP1A2 (0.52) ABL1BCRABCB1APPESR1
SCHEMBL673820 0.77 APP (0.69) ABL1BCRABCB1APPESR1

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-110709469-B Polycarbonate resin composition, molded article, polycarbonate resin, and end-capping agent for polycarbonate resin 三菱瓦斯化学株式会社 2022-04-29 CN disclosed