SCHEMBL457964

SCHEMBL457964

COc1cc(CCO)ccc1OCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
PTGER1 P34995 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL458398 0.90 HTT (0.49) KCNH2TMEM97SIGMAR1HTT
SCHEMBL7320143 0.86 LMNA (0.51) LMNAALDH1A1MAPTPTGER1SMN1; SMN2
SCHEMBL458232 0.83 KCNH2 (0.45) SMN1; SMN2KCNH2TMEM97SIGMAR1POLB
SCHEMBL6994087 0.83 LMNA (0.53) LMNAALDH1A1MAPTPTGER1SMN1; SMN2
SCHEMBL6812749 0.81 EDNRB (0.47) LMNAALDH1A1MAPTPTGER1SMN1; SMN2
SCHEMBL11911915 0.81 BIRC5 (0.47) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL11202364 0.81 EPHX2 (0.50) LMNAALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL16606197 0.81 KMT2A (0.55) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL15124853 0.80 FDPS (0.44) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL11815908 0.79 L3MBTL1 (0.58) LMNAALDH1A1MAPTSMN1; SMN2KMT2A

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
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 WO disclosed