SCHEMBL6137015

SCHEMBL6137015

Cn1c(C(F)(F)F)nn(-c2ccc(C(=O)C3C(=O)CCCC3=O)c(Cl)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.40
DHODH Q02127 2/20 0.40
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
MET P08581 1/20 0.34
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 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
SCHEMBL5421340 0.82 MYC (0.47) DHODHLMNATP53POLB
SCHEMBL5416536 0.75 L3MBTL1 (0.54) DHODHTP53POLB
SCHEMBL5410404 0.73 DHODH (0.39) DHODH
SCHEMBL9134337 0.73 HPD (0.64) HPDLMNAPOLB
SCHEMBL5420508 0.71 CTSK (0.47)
SCHEMBL7507573 0.70 DHODH (0.38) DHODHLMNA
SCHEMBL8176844 0.69 F9 (0.41) LMNA
SCHEMBL10191434 0.69 HPGD (0.50) HPD
SCHEMBL7344969 0.69 TSHR (0.50) HPD
SCHEMBL20917012 0.67 HPD (0.47) HPDTP53TRPV1

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
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP disclosed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN disclosed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP disclosed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 WO disclosed