SCHEMBL9535701

SCHEMBL9535701

Cc1onc(-c2ccccc2)c1OC(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
PTGS1 P23219 2/20 0.50
PTGS2 P35354 1/20 0.50
POLB P06746 3/20 0.48
TSHR P16473 4/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL5242546 0.88 KMT2A (0.56) KMT2AMEN1GAAPTGS1PTGS2
SCHEMBL9533383 0.87 GPBAR1 (0.51) KMT2AMEN1POLBMAPK1GPBAR1
SCHEMBL27495331 0.86 KMT2A (0.55) KMT2AMEN1GAAPTGS1PTGS2
SCHEMBL9533615 0.81 HSD17B10 (0.59) GAAPTGS1PTGS2POLBGPBAR1
SCHEMBL9532926 0.81 PTGS1 (0.54) KMT2AMEN1GAAPTGS1PTGS2
SCHEMBL9535442 0.80 GPBAR1 (0.51) KMT2AMEN1GAAPOLBTSHR
SCHEMBL9533922 0.79 TSHR (0.59) KMT2AGAAPTGS2POLBTSHR
SCHEMBL9536170 0.78 MAPT (0.52) KMT2AMEN1PTGS2POLBTSHR
SCHEMBL9535755 0.77 ALDH1A1 (0.52) GAAPTGS2MAPK1SMN1; SMN2
SCHEMBL27744385 0.77 PTGS2 (0.59) KMT2AMEN1GAAPTGS1PTGS2

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