SCHEMBL8669587

SCHEMBL8669587

CCC(C)Oc1ccccc1CC(O)CNC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
CTSK P43235 4/20 0.44
CTSS P25774 4/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA5 P22460 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8668743 0.85 SYK (0.45) SYKCTSKCTSSCTSLCTSB
SCHEMBL8666812 0.80 LMNA (0.46) CTSKCTSSCTSLCTSBLMNA
SCHEMBL5218083 0.80 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL12067897 0.78 LMNA (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL6647168 0.78 LMNA (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL5019087 0.77 LMNA (0.61) SYKCTSSCTSLLMNASMN1; SMN2
SCHEMBL27268626 0.76 LMNA (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL19390721 0.75 SMN1; SMN2 (0.52) SYKCTSKCTSSCTSLLMNA
SCHEMBL7378563 0.74 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL6216286 0.74 LMNA (0.58) SYKCTSKCTSSCTSLCTSB

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