SCHEMBL9575249

SCHEMBL9575249

CCC(C)(C)c1cc(NC(=O)C(=O)NN)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GAA P10253 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
CNR1 P21554 5/20 0.31
CNR2 P34972 5/20 0.31
P2RX1 P51575 1/20 0.30

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
SCHEMBL9575276 0.92 GAA (0.45) KDM4EGAAALDH1A1MAPK1TDP1
SCHEMBL9575154 0.86 GAA (0.53) KDM4EGAAALDH1A1MAPK1TDP1
SCHEMBL9575477 0.81 GAA (0.43) KDM4EGAAALDH1A1MAPK1TDP1
SCHEMBL8335780 0.76 GAA (0.64) KDM4EGAAALDH1A1MAPK1TDP1
SCHEMBL11520930 0.74 GAA (0.49) KDM4EGAAALDH1A1TDP1
SCHEMBL9742203 0.74
SCHEMBL9575286 0.72 GAA (0.43) GAAALDH1A1MAPK1TDP1CYP1A2
SCHEMBL23539085 0.72 GAA (0.47) KDM4EGAAALDH1A1MAPK1TDP1
SCHEMBL11520853 0.71 GAA (0.45) GAAALDH1A1TDP1
SCHEMBL11522501 0.71 GAA (0.56) GAAALDH1A1MAPK1TDP1CYP1A2

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