SCHEMBL29980778

SCHEMBL29980778

CC(C)CC1=CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 4/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCL2L1 Q07817 2/20 0.38
MCL1 Q07820 2/20 0.38
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32
LMNA P02545 3/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL29510312 0.88 MEN1 (0.43) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL2647414 0.80 KMT2A (0.59) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL10709923 0.77 MEN1 (0.65) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL10711046 0.75 MEN1 (0.61) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL5478445 0.74 MEN1 (0.45) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL30745652 0.74 POLB (0.37) MEN1KMT2APOLBGRM2GRM3
SCHEMBL7206065 0.72 MEN1 (0.55) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL7204685 0.72 MEN1 (0.55) MEN1KMT2APOLBCASP6CTDSP1
SCHEMBL29510236 0.71 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL28753497 0.71 MEN1 (1.00) MEN1KMT2ABCL2L1MCL1ALDH1A1

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-115298254-A Modifier for polyolefin resin and polyolefin resin composition containing the same 新日本理化株式会社 2022-11-04 CN disclosed