SCHEMBL10796148

SCHEMBL10796148

Cc1c(C)c(C2CC(=O)C=C(O)C2)c(Cl)c2c1CCO2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.39
APOBEC3A P31941 1/20 0.39
RECQL P46063 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10791397 0.89 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10794184 0.89 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10790749 0.86 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10792670 0.84 POLB (0.42) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL8877135 0.79 POLB (0.39) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL9722678 0.77 POLB (0.47) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10679929 0.73 POLB (0.50) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL10800627 0.73 RAB9A (0.31)
SCHEMBL9722642 0.72 POLB (0.41) POLBALDH1A1ALOX12HTTSMN1; SMN2
SCHEMBL8877720 0.69 POLB (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095330-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1987-11-19 EP disclosed
US-4511391-A Cyclohexane-1,3-dione derivatives and their herbicidal compositions and methods ICI AUSTRALIA LIMITED (AU) 1985-04-16 US disclosed
EP-0095330-A1 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1983-11-30 EP disclosed