SCHEMBL9532664

SCHEMBL9532664

Cc1onc(-c2ccccc2Cl)c1OC(=O)OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
CYP2C19 P33261 1/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
GPBAR1 Q8TDU6 4/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47

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 0.86 TSHR (0.53) MAPTLMNAL3MBTL1SMN1; SMN2HPGD
SCHEMBL9533615 0.83 HSD17B10 (0.59) HSD17B10CYP2C19MAPTLMNAL3MBTL1
SCHEMBL27936754 0.83 HSD17B10 (0.59) HSD17B10CYP2C19MAPTLMNAL3MBTL1
SCHEMBL5243618 0.83 HSD17B10 (0.59) HSD17B10CYP2C19MAPTLMNAL3MBTL1
SCHEMBL9535356 0.82 HSD17B10 (0.52) HSD17B10CYP2C19MAPTLMNAL3MBTL1
SCHEMBL9534026 0.82 MAPT (0.57) HSD17B10CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL9537042 0.81 SMN1; SMN2 (0.54) MAPTLMNASMN1; SMN2HPGDGPBAR1
SCHEMBL9533168 0.81 GPBAR1 (0.59) HSD17B10CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL9534838 0.79 MAPT (0.56) HSD17B10CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL9534976 0.75 EPAS1 (0.57) HSD17B10MAPTLMNAL3MBTL1SMN1; 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