SCHEMBL9807013

SCHEMBL9807013

CCON=C(CC)C1=C(O)CC(c2c(C)cc(C)c(CC#N)c2C)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MAPT P10636 6/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL9807009 1.00 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL27577869 0.86 RAB9A (0.40) RAB9AMAPTKDM4EGAALMNA
SCHEMBL10704566 0.86 RAB9A (0.45) RAB9AMAPTKDM4EGAALMNA
SCHEMBL10704563 0.86 RAB9A (0.45) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807027 0.85 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807021 0.85 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807014 0.84 RAB9A (0.34) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807020 0.84 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9806995 0.84 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807003 0.84 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211605-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-15 EP claimed
US-4795487-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1989-01-03 US claimed
EP-0211605-A2 Herbicidal Cyclohexane-1,3-dione Derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-25 EP claimed
EP-0211605-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-05-15 EP disclosed
US-4795487-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1989-01-03 US disclosed
EP-0211605-A2 Herbicidal Cyclohexane-1,3-dione Derivatives ICI AUSTRALIA LIMITED (AU) 1987-02-25 EP disclosed