SCHEMBL9686943

SCHEMBL9686943

CC(=O)OCc1ccc(F)cc1Cl.Cc1ccc(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
P2RX7 Q99572 7/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.40

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
SCHEMBL9687102 0.93 L3MBTL1 (0.61) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL13034116 0.82 KDM4E (0.43) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL9684769 0.80 L3MBTL1 (0.50) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL2876824 0.80 L3MBTL1 (0.60) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL336642 0.79 ALDH1A1 (0.51) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL2876829 0.79 L3MBTL1 (0.58) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL31568278 0.77 L3MBTL1 (0.54) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL11888397 0.77 GAA (0.64) L3MBTL1SMN1; SMN2HTTMAPTGAA
SCHEMBL13034123 0.77 MAOB (0.59) POLBL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL13811589 0.77 L3MBTL1 (0.54) POLBL3MBTL1SMN1; SMN2HTTALDH1A1

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
US-5078838-A By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol BASF AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed