SCHEMBL6970156

SCHEMBL6970156

Cc1ccc(OC(=O)O)c2c1NCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 3/20 0.36
RXRA P19793 4/20 0.35
RXRB P28702 4/20 0.35
RXRG P48443 4/20 0.35
SRC P12931 1/20 0.35
IGF1R P08069 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
PRKD1 Q15139 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6970151 0.76 PARP1 (0.39) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL11981462 0.74 KDM4E (0.44) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL3500989 0.73 PARP1 (0.44) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL9176149 0.71 SRC (0.62) KDM4EPARP1RXRARXRBRXRG
SCHEMBL19178086 0.70 RXRA (0.33) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL29187807 0.69 PARP1 (0.47) PARP1IGF1R
SCHEMBL6975538 0.69 RXRA (0.37) KDM4EALDH1A1GAAPARP1RXRA
SCHEMBL10914542 0.68 KDM4E (0.51) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL13348032 0.68 ALDH1A1 (0.43) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL31275828 0.66 IGF1R (0.43) HPGDPARP1IGF1RMEN1KMT2A

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
EP-0931070-B1 HETAROYL CYCLOHEXANEDIONE DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2003-03-19 EP disclosed