SCHEMBL9535341

SCHEMBL9535341

CCCc1onc(-c2ccccc2Cl)c1OC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.54
MAPT P10636 7/20 0.47
TP53 P04637 3/20 0.45
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.41
TSHR P16473 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
SCHEMBL9538504 0.90 GPBAR1 (0.53) GPBAR1MAPTTP53HSD17B10SMN1; SMN2
SCHEMBL9535220 0.86 GHSR (0.51) GPBAR1MAPTALDH1A1POLBTSHR
SCHEMBL9536660 0.82 GPBAR1 (0.47) GPBAR1MAPTALDH1A1
SCHEMBL9537450 0.81 GHSR (0.47) GPBAR1MAPTTP53SMN1; SMN2HPGD
SCHEMBL9533615 0.81 HSD17B10 (0.59) GPBAR1MAPTTP53HSD17B10SMN1; SMN2
SCHEMBL9535545 0.80 FFAR4 (0.50) GPBAR1SMN1; SMN2CYP2C19
SCHEMBL9533421 0.76 SCN9A (0.49) GPBAR1MAPTALDH1A1POLBTSHR
SCHEMBL9532926 0.73 PTGS1 (0.54) GPBAR1POLBCYP2C19TSHR
SCHEMBL9536053 0.71 SCN9A (0.53) GPBAR1MAPTTP53SMN1; SMN2HPGD
SCHEMBL5243618 0.70 HSD17B10 (0.59) GPBAR1MAPTTP53HSD17B10SMN1; SMN2

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