SCHEMBL28865672

SCHEMBL28865672

C/C=C/c1ccc(OCC)c(O)c1.CCC=C[C]=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.47
TOP2A P11388 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TYR P14679 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
POLB P06746 1/20 0.40
TTR P02766 2/20 0.39
DPP4 P27487 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL272462 0.85 TUBB1 (0.60) TUBB1TOP2AALDH1A1TYRABL1
SCHEMBL995564 0.85 TUBB1 (0.60) TUBB1TOP2AALDH1A1TYRABL1
SCHEMBL29403643 0.85 TUBB1 (0.60) TUBB1TOP2AALDH1A1TYRABL1
SCHEMBL111431 0.85 TUBB1 (0.60) TUBB1TOP2AALDH1A1TYRABL1
SCHEMBL29355222 0.85 TUBB1 (0.60) TUBB1TOP2AALDH1A1TYRABL1
SCHEMBL28221180 0.75 KDM4E (0.48) TUBB1TTRPDE4BKDM4E
SCHEMBL27720466 0.74 IAPP (0.61) TUBB1TOP2APOLBTTRDPP4
Cinnamaldehyde SCHEMBL27921062 0.74 TUBB1 (0.50) TUBB1TOP2AALDH1A1POLBGAA
SCHEMBL28250097 0.73 TUBB1 (0.48) TUBB1TOP2AALDH1A1TYRABL1
SCHEMBL6560457 0.73 ALDH1A1 (0.68) TUBB1TOP2AALDH1A1TYRABL1

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-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed