SCHEMBL28828759

SCHEMBL28828759

CCC(C)C(C)C(C(C)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ACE P12821 3/20 0.37
MME P08473 2/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL8882964 0.86 ALDH1A1 (0.41) ALDH1A1ACEMMECPA1ACE2
SCHEMBL2367602 0.86 ALDH1A1 (0.41) ALDH1A1ACEMMECPA1ACE2
SCHEMBL23825329 0.78 ALDH1A1 (0.35) ALDH1A1ACEMMECPA1ACE2
SCHEMBL152857 0.78 ALDH1A1 (0.45) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21269835 0.75 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
Ethane SCHEMBL6156725 0.75 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL28314581 0.75 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21269449 0.75 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21269432 0.75 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL28314578 0.75 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2

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-115776993-A Non-aqueous crosslinkable composition 湛新树脂(中国)有限公司 2023-03-10 CN disclosed
CN-114846049-A Non-aqueous crosslinkable compositions 湛新荷兰有限公司 2022-08-02 CN disclosed