SCHEMBL30002988

SCHEMBL30002988

CCCCC(CC)C(=O)Oc1cc(C)c(OC(=O)C(CC)CCCC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA2 P00918 4/20 0.42
CA1 P00915 2/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 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
SCHEMBL23271742 1.00 HTT (0.52) HTTGAAL3MBTL1XBP1ATM
SCHEMBL23271874 0.88 L3MBTL1 (0.46) HTTGAAL3MBTL1XBP1ATM
SCHEMBL30003693 0.88 L3MBTL1 (0.46) HTTGAAL3MBTL1XBP1ATM
SCHEMBL20398667 0.86 L3MBTL1 (0.48) HTTGAAL3MBTL1XBP1ATM
SCHEMBL29372067 0.86 CA2 (0.53) GAAL3MBTL1XBP1ATMNPSR1
SCHEMBL20398628 0.86 CA2 (0.53) GAAL3MBTL1XBP1ATMNPSR1
SCHEMBL23271867 0.84 CA2 (0.51) GAAL3MBTL1XBP1ATMNPSR1
SCHEMBL30003410 0.84 CA2 (0.51) GAAL3MBTL1XBP1ATMNPSR1
SCHEMBL20398551 0.81 L3MBTL1 (0.46) GAAL3MBTL1XBP1ATMNPSR1
SCHEMBL30003134 0.81 L3MBTL1 (0.46) GAAL3MBTL1XBP1ATMNPSR1

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