SCHEMBL9536660

SCHEMBL9536660

CCCCCCCCCCCCCCCCCCNC(=O)Oc1c(-c2ccccc2Cl)noc1CCC

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9535030 0.89 GHSR (0.46) ALDH1A1MGLL
SCHEMBL9538135 0.85 SMN1; SMN2 (0.48) ALDH1A1MAPT
SCHEMBL9536417 0.85 GPBAR1 (0.46) GPBAR1ALDH1A1
SCHEMBL9533601 0.83 MAPT (0.51) ALDH1A1MAPT
SCHEMBL9535349 0.82 SCN5A (0.46) ALDH1A1MGLL
SCHEMBL9533695 0.74 NR1H4 (0.46) ALDH1A1
SCHEMBL9538504 0.72 GPBAR1 (0.53) GPBAR1ALDH1A1MAPT
SCHEMBL9534540 0.71 SMN1; SMN2 (0.47) ALDH1A1MAPT
SCHEMBL9534075 0.70 SMN1; SMN2 (0.43) ALDH1A1MAPT
SCHEMBL9535220 0.69 GHSR (0.51) GPBAR1ALDH1A1MAPT

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-0573883-A1 Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation BAYER AG (DE) 1993-12-15 EP disclosed