SCHEMBL8555976

SCHEMBL8555976

CCC(C)(CC)OC(=O)[C@@H](N)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
LTA4H P09960 1/20 0.44
GRIK1 P39086 1/20 0.43
TSHR P16473 1/20 0.43
CTSC P53634 1/20 0.43
ANPEP P15144 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
ERAP2 Q6P179 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL15989057 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMEN1HTTKMT2A
SCHEMBL27878100 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1HTTKMT2A
SCHEMBL27878101 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1HTTKMT2A
SCHEMBL2307679 0.87 LTA4H (0.55) SMN1; SMN2HPGDMEN1HTTKMT2A
SCHEMBL2307682 0.87 LTA4H (0.55) SMN1; SMN2HPGDMEN1HTTKMT2A
SCHEMBL27878054 0.87 LTA4H (0.55) SMN1; SMN2HPGDMEN1HTTKMT2A
Hydrochloric Acid SCHEMBL29264506 0.85 LTA4H (0.54) SMN1; SMN2HPGDMEN1HTTKMT2A
SCHEMBL12967040 0.85 SLC7A5 (0.53) LTA4HANPEP
SCHEMBL2635410 0.80 SMN1; SMN2 (0.55) SMN1; SMN2GRIK1CTSCANPEPERAP1
SCHEMBL3712742 0.80 SMN1; SMN2 (0.55) SMN1; SMN2GRIK1CTSCANPEPERAP1

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
EP-0915829-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998005625-A1 DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY BRACCO S.P.A. (IT) 1998-02-12 WO disclosed