SCHEMBL8410573

SCHEMBL8410573

Cc1cc(=O)oc2cc(/C(=C\C(N)=O)C(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 9/20 0.50
GLA P06280 6/20 0.50
GAA P10253 6/20 0.50
CA9 Q16790 6/20 0.50
CA12 O43570 5/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CA1 P00915 4/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
AKR1B1 P15121 1/20 0.50
UGT1A1 P22309 1/20 0.50
MAOB P27338 1/20 0.50
KDR P35968 1/20 0.50
HSD17B3 P37058 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL483004 0.81 KDM4E (0.61) KDM4EALDH1A1GLAGAACA9
SCHEMBL29403594 0.81 KDM4E (0.61) KDM4EALDH1A1GLAGAACA9
Hydrochloric Acid SCHEMBL30656908 0.79 KDM4E (0.59) KDM4EALDH1A1GLAGAACA9
SCHEMBL17885121 0.79 ALDH1A1 (0.63) KDM4EALDH1A1GLAGAACA9
Trifluoroacetic Acid SCHEMBL14844335 0.75 KDM4E (0.53) KDM4EALDH1A1GLAGAACA9
SCHEMBL27771200 0.74 ALDH1A1 (0.64) KDM4EALDH1A1GLAGAACA9
SCHEMBL27587553 0.72 KDM4E (0.59) KDM4EALDH1A1GLAGAACA9
SCHEMBL4386398 0.71 KDM4E (0.56) KDM4EALDH1A1GLAGAACA9
Oxamate SCHEMBL29185761 0.71 MAOA (0.59) KDM4EALDH1A1GLAGAACA9
Acetic Acid SCHEMBL3998167 0.71 ALDH1A1 (0.84) KDM4EALDH1A1GLAGAACA9

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-5965746-A REACTING AN AMINO GROUP-CONTAINING N-CYCLIC COMPOUND WITH MALEIC ANHYDRIDE IN ACETIC ACID TO OBTAIN AN N-CYCLIC MALEAMIC ACID, ADDING HEXAMETHYLDISILAZANE, CYCLIZING TO FORM N-CYCLIC MALEIMIDE, USE AS A FLUORESCENT DYES AISIN SEIKI KABUSHIKI KAISHA (JP) 1999-10-12 US disclosed