SCHEMBL8567975

SCHEMBL8567975

CCOC(=O)Oc1nc(F)c(C)c(F)c1OC(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ALOX5 P09917 1/20 0.36
SOAT1 P35610 1/20 0.34
CYP1A2 P05177 2/20 0.33
CA2 P00918 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 2/20 0.31
CUL4A Q13619 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
F10 P00742 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
SCHEMBL8569899 0.85 CUL4A (0.40) ALDH1A1ALOX5SOAT1CUL4A
SCHEMBL12690366 0.76 ALDH1A1 (0.48) ALDH1A1SOAT1CYP1A2MTORRAB9A
SCHEMBL1401567 0.75 ALDH1A1 (0.52) ALDH1A1SOAT1CYP1A2MTORRAB9A
SCHEMBL8567536 0.72 CUL4A (0.39) ALDH1A1ALOX5SOAT1CYP1A2RAB9A
SCHEMBL8558196 0.71 ALOX5 (0.38) ALDH1A1ALOX5SOAT1CYP1A2CA2
SCHEMBL9191295 0.69 ALOX5 (0.39) ALDH1A1ALOX5SOAT1CYP1A2CA2
SCHEMBL19543215 0.65 ALDH1A1 (0.43) ALDH1A1SOAT1CYP1A2CA2CYP2C9
SCHEMBL1787407 0.65 ALDH1A1 (0.43) ALDH1A1SOAT1CYP1A2CA2RAB9A
SCHEMBL27215072 0.65 NLRP3 (0.46) ALDH1A1SOAT1CYP1A2CA2RAB9A
SCHEMBL8656126 0.65 PDE4D (0.41) ALDH1A1CYP1A2CA2RAB9AKMT2A

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
EP-0661282-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-04-22 EP disclosed
EP-0661282-A1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed