SCHEMBL7716142

SCHEMBL7716142

COc1ccc(COC(=O)COc2cc[c]cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 4/20 0.50
PLA2G4B P0C869 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.49
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
APEX1 P27695 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7328399 0.84 ALDH1A1 (0.53) SMN1; SMN2KMT2APLA2G4BMAPTPOLB
SCHEMBL11276134 0.80 FFAR1 (0.54) SMN1; SMN2KMT2AMAPTPOLBNPC1
SCHEMBL864988 0.80 APP (0.65) SMN1; SMN2KMT2APLA2G4BMEN1MAPT
SCHEMBL11281059 0.78 NPC1 (0.55) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL11235640 0.77 ALDH1A1 (0.56) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL1444267 0.77 GAA (0.61) SMN1; SMN2MAPTPOLBGAALMNA
SCHEMBL23295 0.76 PTGS2 (0.53) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL3732372 0.76 ALDH1A1 (0.59) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL10399769 0.76 ALDH1A1 (0.66) SMN1; SMN2KMT2AMAPTPOLBGAA
SCHEMBL20175325 0.76 PLA2G4B (0.56) SMN1; SMN2KMT2APLA2G4BMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391916-B1 ANTITUMOR AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2002-05-21 US claimed
US-6391916-B1 ANTITUMOR AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2002-05-21 US disclosed