SCHEMBL9684769

SCHEMBL9684769

CC(=O)OCc1ccc(F)cc1Cl.COC(OC)c1ccc(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.41
NR3C2 P08235 4/20 0.40
MDM2 Q00987 4/20 0.39
KMT2A Q03164 1/20 0.39
MDM4 O15151 1/20 0.38
ADAMTS4 O75173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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 0.87 L3MBTL1 (0.61) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL9686943 0.80 POLB (0.55) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL9324049 0.79 NR3C2 (0.41) HTTMAPTNR3C2MDM2MDM4
SCHEMBL2876824 0.75 L3MBTL1 (0.60) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL2876829 0.73 L3MBTL1 (0.58) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL31568278 0.72 L3MBTL1 (0.54) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL13034123 0.72 MAOB (0.59) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL11888397 0.72 GAA (0.64) L3MBTL1HTTSMN1; SMN2MAPTGAA
SCHEMBL13811589 0.72 L3MBTL1 (0.54) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL13034126 0.71 HDAC3 (0.46) L3MBTL1POLBSMN1; SMN2ALDH1A1GAA

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