SCHEMBL9537042

SCHEMBL9537042

Cc1onc(-c2c(F)cccc2Cl)c1OC(=O)OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 3/20 0.52
ATM Q13315 3/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.50
ALOX15 P16050 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL9537421 0.92 TSHR (0.53) SMN1; SMN2LMNAGLAHPGDALDH1A1
SCHEMBL9536365 0.85 LMNA (0.57) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL5242736 0.85 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL9535763 0.83 KMT2A (0.58) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL9532664 0.81 HSD17B10 (0.53) SMN1; SMN2KMT2ALMNAHPGDHTT
SCHEMBL9533158 0.79 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ALMNAATMHPGD
SCHEMBL9537606 0.79 KDM4E (0.50) SMN1; SMN2KMT2ALMNAATMGLA
SCHEMBL9536336 0.78 SCN9A (0.54) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL14519854 0.76 KMT2A (0.67) SMN1; SMN2KMT2AMEN1LMNAATM
SCHEMBL27324747 0.76 LMNA (0.52) SMN1; SMN2KMT2AMEN1LMNAATM

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