SCHEMBL9533168

SCHEMBL9533168

COc1ccc(OC(=O)Oc2c(-c3ccccc3Cl)noc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.59
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 2/20 0.51
TP53 P04637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 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
SCHEMBL9534026 0.92 MAPT (0.57) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9535356 0.82 HSD17B10 (0.52) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9535763 0.82 KMT2A (0.58) GPBAR1SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL27936754 0.81 HSD17B10 (0.59) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9533615 0.81 HSD17B10 (0.59) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL5243618 0.81 HSD17B10 (0.59) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9532664 0.81 HSD17B10 (0.53) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9534976 0.80 EPAS1 (0.57) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9534838 0.80 MAPT (0.56) GPBAR1MAPTSMN1; SMN2HPGDRECQL
SCHEMBL9535442 0.77 GPBAR1 (0.51) GPBAR1MAPTSMN1; SMN2HPGDRECQL

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