SCHEMBL4757010

SCHEMBL4757010

COC(=O)c1ccc(OCCl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
RAB9A P51151 5/20 0.64
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.54
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
STS P08842 1/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL2088837 0.85 MAPT (0.79) MAPTRAB9ACA1CA2NPC1
SCHEMBL6835771 0.85 MAPT (0.79) MAPTRAB9ACA1CA2NPC1
SCHEMBL1951546 0.84 MAPT (1.00) MAPTRAB9ACA1CA2NPC1
SCHEMBL7402196 0.84 MAPT (0.77) MAPTRAB9ACA1CA2NPC1
SCHEMBL10295156 0.82 MAPT (0.75) MAPTRAB9ACA1CA2NPC1
SCHEMBL2469151 0.82 MAPT (0.89) MAPTRAB9ACA1CA2NPC1
SCHEMBL204175 0.82 MAPT (0.75) MAPTRAB9ACA1CA2NPC1
SCHEMBL1794811 0.82 MAPT (0.74) MAPTRAB9ACA1CA2NPC1
SCHEMBL943071 0.81 CA12 (0.59) MAPTCA1CA2MEN1KMT2A
SCHEMBL27507057 0.81 MAPT (0.68) MAPTRAB9ACA1CA2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP disclosed
CN-100348569-C Induction of apoptosis in cancer cells BURNHAM INST (US) 2007-11-14 CN disclosed
CN-1659130-A Induction of apoptosis in cancer cells BURNHAM INST (US) 2005-08-24 CN disclosed