SCHEMBL9813697

SCHEMBL9813697

CC1CC(C)(C)NC(C)(C)C1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.44
EZH2 Q15910 4/20 0.44
CYP2C9 P11712 1/20 0.43
GLA P06280 1/20 0.43
HSD17B10 Q99714 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MYC P01106 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL10681714 1.00 ALOX15 (0.45) ALOX15KDM4EEZH2CYP2C9GLA
Pyromellitic Acid SCHEMBL10684063 0.86 ALOX15 (0.46) ALOX15KDM4EEZH2GLAHSD17B10
Pyromellitic Acid SCHEMBL9813658 0.86 ALOX15 (0.46) ALOX15KDM4EEZH2GLAHSD17B10
SCHEMBL10679973 0.82 GAA (0.45) ALOX15EZH2CYP2C9GLAHSD17B10
SCHEMBL9813638 0.81 KDM4E (0.43) KDM4EHSD17B10CDC25ACDC25BGAA
SCHEMBL10679552 0.81 KDM4E (0.43) KDM4EHSD17B10CDC25ACDC25BGAA
SCHEMBL27261698 0.81 GAA (0.60) ALOX15KDM4EEZH2CYP2C9GLA
Benzoic Acid SCHEMBL9813692 0.80 GAA (0.58) ALOX15KDM4EEZH2GAAMEN1
SCHEMBL27514891 0.79 EZH2 (0.44) ALOX15KDM4EEZH2CYP2C9GLA
SCHEMBL29778060 0.79 GAA (0.66) ALOX15EZH2CYP2C9GLAHSD17B10

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
EP-0163245-B1 DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS AUSIMONT S.r.l. (IT) 1991-07-31 EP disclosed
EP-0163245-A2 Derivatives of alkyl-substituted 4-hydroxy-methyl-piperidine and use thereof as stabilizers AUSIMONT S.r.l. (IT) 1985-12-04 EP disclosed