SCHEMBL5603396

SCHEMBL5603396

CC1CN(C(=O)C(Cl)Cl)C(C)(C)O1.O=C(C(Cl)Cl)N1CCOC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL11387535 0.83 CTSB (0.37) CTSBCTSSCTSKALDH1A1
SCHEMBL337653 0.83 CTSB (0.37) CTSBCTSSCTSKALDH1A1
SCHEMBL9873974 0.82 ALDH1A1 (0.36) CTSBCTSSCTSKALDH1A1
SCHEMBL8429251 0.82 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL167473 0.82 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL8429253 0.82 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL9874551 0.76 CTSB (0.32) CTSBCTSSCTSKALDH1A1
SCHEMBL9873835 0.76 CTSB (0.32) CTSBCTSSCTSKALDH1A1
SCHEMBL9875395 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11403724 0.74 CTSB (0.31) CTSBCTSSCTSKALDH1A1

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
EP-1429609-B1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AG (DE) 2007-03-07 EP claimed