SCHEMBL9534026

SCHEMBL9534026

Cc1onc(-c2ccccc2Cl)c1OC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
GPBAR1 Q8TDU6 7/20 0.54
TP53 P04637 3/20 0.54
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9533168 0.92 GPBAR1 (0.59) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9535442 0.85 GPBAR1 (0.51) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9535356 0.83 HSD17B10 (0.52) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL27936754 0.82 HSD17B10 (0.59) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9533615 0.82 HSD17B10 (0.59) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL5243618 0.82 HSD17B10 (0.59) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9532664 0.82 HSD17B10 (0.53) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9534976 0.81 EPAS1 (0.57) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9534838 0.81 MAPT (0.56) MAPTSMN1; SMN2HPGDRECQLGPBAR1
SCHEMBL9535763 0.74 KMT2A (0.58) SMN1; SMN2HPGDGPBAR1KDM4ELMNA

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