SCHEMBL11099663

SCHEMBL11099663

CC(=O)CCc1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
RECQL P46063 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 6/20 0.42
GPR17 Q13304 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IAPP P10997 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL25261692 0.85 ALDH1A1 (0.41) KDM4ERECQLPKMALDH1A1HPGD
SCHEMBL11392001 0.84 GPR17 (0.42) KDM4EALDH1A1GPR17HRH3LMNA
SCHEMBL14988768 0.83 NPSR1 (0.57) KDM4EGPR17HRH3POLBTSHR
SCHEMBL6017716 0.83 GPR17 (0.41) KDM4EALDH1A1GPR17HRH3LMNA
SCHEMBL15319053 0.81 NPSR1 (0.39) KDM4ERECQLPKMALDH1A1GPR17
SCHEMBL11505002 0.80 ALDH1A1 (0.37) KDM4ERECQLPKMALDH1A1HPGD
SCHEMBL9632300 0.80 ALDH1A1 (0.54) KDM4ERECQLPKMALDH1A1LMNA
SCHEMBL10868522 0.80 ALDH1A1 (0.46) KDM4ERECQLPKMALDH1A1GPR17
SCHEMBL7193838 0.79 ALDH1A1 (0.42) KDM4EALDH1A1GPR17HRH3HPGD
SCHEMBL26802127 0.79 KDM4E (0.42) KDM4ERECQLPKMALDH1A1GPR17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128642-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-19 EP disclosed
EP-0080301-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP disclosed