SCHEMBL5969641

SCHEMBL5969641

CCC(=O)Oc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.36
DHODH Q02127 10/20 0.34
CCR1 P32246 2/20 0.33
TRPC3 Q13507 1/20 0.33
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27824325 0.89 KDM4E (0.34) PPOXDHODHNPC1ALDH1A1LMNA
SCHEMBL4678823 0.85 PPOX (0.43) PPOXALDH1A1CYP1A2CYP2C19
SCHEMBL39032 0.85 PPOX (0.53) PPOXALDH1A1LMNARAB9AHPGD
SCHEMBL4681148 0.85 PPOX (0.54) PPOXDHODHALDH1A1HPGDMEN1
SCHEMBL985555 0.85 PPARG (0.38) PPOXDHODHCCR1
SCHEMBL4681580 0.84 LMNA (0.44) PPOXDHODHALDH1A1LMNAHPGD
SCHEMBL31442437 0.84 PPOX (0.44) PPOXDHODHALDH1A1LMNACYP1A2
SCHEMBL4679803 0.84 PPOX (0.44) PPOXDHODHALDH1A1LMNACYP1A2
SCHEMBL4677779 0.84 PPOX (0.43) PPOXDHODHALDH1A1RAB9AHSP90AA1
SCHEMBL39165 0.84 PPOX (0.40) PPOXALDH1A1LMNAHPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006001921-A METHOD FOR CONTROLLING WEED SUMITOMO CHEMICAL CO LTD 2006-01-05 JP disclosed