SCHEMBL8668743

SCHEMBL8668743

CCOc1ccccc1CC(O)CNC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
ADRB2 P07550 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL8669587 0.85 SYK (0.45) SYKL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL6647168 0.81 LMNA (0.56) SYKSMN1; SMN2LMNAKMT2AHTT
SCHEMBL12067897 0.81 LMNA (0.56) SYKSMN1; SMN2LMNAKMT2AHTT
SCHEMBL8770412 0.81 SMN1; SMN2 (0.46) L3MBTL1MAPTSMN1; SMN2LMNAHTT
SCHEMBL5218083 0.80 SYK (0.57) SYKL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL5019087 0.79 LMNA (0.61) SYKL3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL8668099 0.79 MEN1 (0.54) MAPTSMN1; SMN2LMNAMMEACE
SCHEMBL8668738 0.79 CTRB1 (0.52) SYKSMN1; SMN2MMEACECPA1
SCHEMBL19390721 0.77 SMN1; SMN2 (0.52) SYKL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL8669072 0.77 LMNA (0.56) L3MBTL1MAPTSMN1; SMN2LMNAMEN1

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-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed