SCHEMBL30003410

SCHEMBL30003410

CCCCC(CC)C(=O)Oc1ccc(OC(=O)C(CC)CCCC)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.51
CA1 P00915 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 1/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
LMNA P02545 3/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL23271867 1.00 CA2 (0.51) CA2CA1L3MBTL1GAAXBP1
SCHEMBL17938465 0.89 CA2 (0.56) CA2CA1L3MBTL1GAAXBP1
SCHEMBL11691368 0.89 ALDH1A1 (0.48) CA2CA1L3MBTL1GAAXBP1
SCHEMBL20398628 0.86 CA2 (0.53) CA2CA1L3MBTL1GAAXBP1
SCHEMBL29372067 0.86 CA2 (0.53) CA2CA1L3MBTL1GAAXBP1
SCHEMBL23271742 0.84 HTT (0.52) CA2CA1L3MBTL1GAAXBP1
SCHEMBL30002988 0.84 HTT (0.52) CA2CA1L3MBTL1GAAXBP1
SCHEMBL23271874 0.84 L3MBTL1 (0.46) CA2CA1L3MBTL1GAAXBP1
SCHEMBL30003693 0.84 L3MBTL1 (0.46) CA2CA1L3MBTL1GAAXBP1
SCHEMBL31148261 0.84 L3MBTL1 (0.55) CA2CA1L3MBTL1GAAXBP1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed