SCHEMBL6772396

SCHEMBL6772396

COC(=O)c1ccc(OC/C=C/CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
RAB9A P51151 5/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL6772403 1.00 MAPT (0.60) MAPTRAB9ACA1CA2NPC1
SCHEMBL5059126 0.92 MAPT (0.70) MAPTRAB9ACA1CA2NPC1
SCHEMBL5059128 0.92 MAPT (0.70) MAPTRAB9ACA1CA2NPC1
SCHEMBL25806424 0.87 MAPT (0.64) MAPTRAB9ACA1CA2NPC1
SCHEMBL27565894 0.86 MAPT (0.67) MAPTRAB9ACA1CA2NPC1
SCHEMBL7392884 0.84 MAPT (0.60) MAPTRAB9ACA1CA2NPC1
SCHEMBL11780640 0.84 L3MBTL1 (0.56) MAPTRAB9AGAALMNAL3MBTL1
SCHEMBL12869645 0.84 MAPT (0.64) MAPTRAB9ACA1CA2NPC1
SCHEMBL11780648 0.84 L3MBTL1 (0.56) MAPTRAB9AGAALMNAL3MBTL1
SCHEMBL25806416 0.83 MAPT (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828344-B1 Direct inhibition of the activity of phospholipase A2 has been suggested as a useful mechanism for a therapeutic agent for inflammation GENETICS INSTITUTE, LLC 2004-12-07 US disclosed