SCHEMBL9722678

SCHEMBL9722678

Cc1c(Cl)c(C2CC(=O)C=C(O)C2)c(C)c2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
APOBEC3A P31941 1/20 0.38
RECQL P46063 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9722642 0.84 POLB (0.41) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10796148 0.77 POLB (0.41) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10679929 0.76 POLB (0.50) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10682369 0.72 MAPT (0.48) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL9861185 0.72 MAPT (0.46) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL8877135 0.72 POLB (0.39) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10790749 0.71 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10685503 0.70 MAPT (0.43) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10792670 0.69 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10791397 0.69 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110989-A Pre- and postemergence; plant growth regulators ICI AUSTRALIA LIMITED (AU) 1992-05-05 US disclosed
US-4952722-A CYCLOHEX-2-EN-1-ONE DERIVATIVES; HERBICIDES ICI AUSTRALIA LIMITED (AU) 1990-08-28 US disclosed
EP-0086588-B1 CYCLOHEXANEDIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1987-07-01 EP disclosed
EP-0086588-A2 Cyclohexanedione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-24 EP disclosed