SCHEMBL9807014

SCHEMBL9807014

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9807010 0.85 RAB9A (0.36) RAB9ALDHALDHBMAPTKDM4E
SCHEMBL9807091 0.84 RAB9A (0.37) RAB9ALDHAMAPTKDM4EGAA
SCHEMBL9807013 0.84 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807009 0.84 RAB9A (0.39) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807015 0.83 RAB9A (0.34) RAB9ALDHAMAPTKDM4EGAA
SCHEMBL10703061 0.82 RAB9A (0.33) RAB9AMAPTKDM4EGAALMNA
SCHEMBL9807030 0.82 LDHA (0.38) RAB9ALDHAMAPTKDM4EGAA
SCHEMBL9807016 0.82 RAB9A (0.33) RAB9ALDHAMAPTKDM4EGAA
SCHEMBL9807031 0.82 RAB9A (0.31) RAB9A
SCHEMBL9816420 0.81 RAB9A (0.37) RAB9ALDHALDHBMAPTKDM4E

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-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