SCHEMBL28528679

SCHEMBL28528679

CCCCC(CC)CC(C)(C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
CA2 P00918 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 3/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL19091741 0.79 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1024159 0.77 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28241103 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8528915 0.76 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL17607476 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL26504646 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7625931 0.76 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL9470305 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28528678 0.74 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL16359703 0.74 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2

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-114746490-A Prepreg and molded article DIC株式会社 2022-07-12 CN disclosed
CN-112166144-A Curable fluoro-elastomer composites and cured products thereof 3M创新有限公司 2021-01-01 CN disclosed