SCHEMBL10679552

SCHEMBL10679552

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
MYC P01106 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 9/20 0.38
GAA P10253 1/20 0.38
NR4A1 P22736 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL9813638 1.00 KDM4E (0.43) KDM4EHSD17B10CDC25ACDC25BMYC
Pyromellitic Acid SCHEMBL10676594 0.86 CCR2 (0.36) KDM4EGAA
Pyromellitic Acid SCHEMBL9813687 0.86 CCR2 (0.36) KDM4EGAA
SCHEMBL21669273 0.81 TSHR (0.44) KDM4EHSD17B10CDC25ACDC25BMYC
SCHEMBL10681714 0.81 ALOX15 (0.45) KDM4EHSD17B10CDC25ACDC25BMYC
SCHEMBL9813697 0.81 ALOX15 (0.45) KDM4EHSD17B10CDC25ACDC25BMYC
Benzoic Acid SCHEMBL9813741 0.80 TSHR (0.47) GAAUSP2LMNA
Methyl Alcohol SCHEMBL29156163 0.74 KDM4E (0.64) KDM4EHSD17B10CDC25ACDC25BMYC
SCHEMBL23279 0.74 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BMYC
SCHEMBL29350135 0.74 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BMYC

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
US-4772708-A STABILIZERS FOR POLYMERS AUSIMONT S.P.A. (IT) 1988-09-20 US disclosed