SCHEMBL29071012

SCHEMBL29071012

CCCCC(C(=O)CC)C(=O)OOC(=O)C(CCCC)C(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
NAAA Q02083 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FDPS P14324 1/20 0.34
POLB P06746 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
SCHEMBL29070990 0.92 ZDHHC7 (0.46) CA2CA1NAAAZDHHC7
SCHEMBL29070989 0.87 CHRM1 (0.36) CA2CA1TSHRCYP3A4TDP1
SCHEMBL6311489 0.86 CA2 (0.55) CA2CA1TSHRCYP3A4ATM
SCHEMBL29021012 0.81 CA2 (0.42) CA2CA1MAPK1
SCHEMBL29135796 0.80 CA2 (0.52) CA2CA1TDP1MAPK1FDPS
SCHEMBL7700641 0.80 TDP1 (0.42) CA1TSHRTDP1MAPK1NAAA
SCHEMBL5448275 0.79 ZDHHC7 (0.44) CA2TDP1NAAAZDHHC7
SCHEMBL4988168 0.79 ZDHHC7 (0.44) CA2TDP1NAAAZDHHC7
SCHEMBL29452813 0.79 CES2 (0.50) ZDHHC7
SCHEMBL10659927 0.78 CA2 (0.40) CA2CA1MAPK1FDPSPOLB

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-114008019-B Method for producing diacyl peroxide 诺力昂化学品国际有限公司 2023-09-15 CN disclosed