SCHEMBL9575286

SCHEMBL9575286

CCC(C)(C)c1cc(CNC(=O)C(=O)NN)cc(C(C)(C)CC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.43
KMT2A Q03164 3/20 0.38
GSR P00390 2/20 0.37
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RIPK1 Q13546 1/20 0.34
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 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
SCHEMBL9575137 0.87 GAA (0.57) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL9575134 0.84 GAA (0.50) GAAKMT2ARAB9AMAPTMEN1
SCHEMBL9575152 0.81 HSPA5 (0.50) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL9575276 0.79 GAA (0.45) GAAKMT2AALDH1A1MAPTHTT
SCHEMBL8336553 0.75 GAA (0.76) GAAKMT2AALDH1A1HTTMEN1
SCHEMBL8335067 0.75 KDM4E (0.52) GAAALDH1A1MAPTHTTCYP1A2
SCHEMBL9575147 0.72 GAA (0.62) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL9575249 0.72 KDM4E (0.42) GAAALDH1A1CYP1A2MAPK1TDP1
SCHEMBL8339507 0.71 ALDH1A1 (0.40) GAAKMT2AGSRALDH1A1MAPT
SCHEMBL11797622 0.70 HSPA5 (0.44) GAAKMT2AGSRALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303280-B1 PHENOLIC ANTIOXIDANT HYDRAZIDES ATOCHEM NORTH AMERICA, INC. (US) 1993-03-24 EP disclosed
EP-0303280-A2 Phenolic antioxidant hydrazides ATOCHEM NORTH AMERICA, INC. (US) 1989-02-15 EP disclosed
US-4801749-A Phenolic antioxidant hydrazides PENNWALT CORPORATION (US) 1989-01-31 US disclosed