SCHEMBL9065478

SCHEMBL9065478

C=C(C)CCCOC(=O)COc1ccc(Cl)c2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 9/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX12 P18054 2/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
HSP90AA1 P07900 2/20 0.43
CCR6 P51684 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9065682 0.88 PKM (0.63) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9065861 0.88 PKM (0.55) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9250237 0.87 PKM (0.62) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9862569 0.86 PKM (0.61) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9065471 0.85 PKM (0.63) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9065780 0.85 PKM (0.53) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9245440 0.85 PKM (0.60) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9245358 0.85 PKM (0.60) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9248708 0.85 PKM (0.60) PKMMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL9245424 0.85 PKM (0.60) PKMMAPTSMN1; SMN2KDM4ETDP1

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
US-5488027-A Herbicide-safener combinations containing sulfonylurea or imidazolinone herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed
US-5441922-A Blended with quinoline and phenylazole derivatives as safening agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-15 US disclosed