SCHEMBL10686153

SCHEMBL10686153

Cc1ccc(C)c(C2CC(=O)C=C(O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 1/20 0.44
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GRM7 Q14831 1/20 0.36
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7682913 0.81 SRD5A1 (0.38) POLBHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL31356860 0.81 MAPT (0.50) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12
SCHEMBL31356794 0.77 POLB (0.70) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12
SCHEMBL10682369 0.76 MAPT (0.48) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12
SCHEMBL15455058 0.76 POLB (0.68) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12
SCHEMBL31356720 0.75 POLB (0.54) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12
SCHEMBL7560192 0.75 TP53 (0.44) POLBHSD17B10ALDH1A1MAPTTDP1
SCHEMBL16956272 0.69 DRD2 (0.47) POLBHSD17B10ALDH1A1TDP1DRD2
SCHEMBL10679929 0.69 POLB (0.50) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12
SCHEMBL10922428 0.69 MAPT (0.55) POLBHSD17B10ALDH1A1SMN1; SMN2ALOX12

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
US-4760192-A Herbicidal cyclohexane-1,3-dione derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
US-4717418-A CEREAL SELECTIVE HERBICIDES ICI AUSTRALIA LIMITED (AU) 1988-01-05 US disclosed
EP-0080301-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-06-01 EP disclosed