SCHEMBL7659115

SCHEMBL7659115

CN(C(=O)OC(C)(C)C)[C@@H](C=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
REN P00797 1/20 0.41
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MMP13 P45452 1/20 0.40
ACE P12821 1/20 0.39
KLK5 Q9Y337 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
AKT1 P31749 2/20 0.39
HPGD P15428 1/20 0.38
CTSH P09668 1/20 0.38

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
SCHEMBL7893852 1.00 ATM (0.45) ATMITGA4ITGB7NPSR1REN
SCHEMBL8360192 0.86 ADORA1 (0.41) CTSK
SCHEMBL8359762 0.85 CTSB (0.46) CTSKCTSSCTSBACEOPRM1
SCHEMBL7475243 0.85 CTSB (0.46) CTSKCTSSCTSBACEOPRM1
SCHEMBL2736195 0.84 ATM (0.43) ATMITGA4ITGB7NPSR1CTSK
SCHEMBL28397926 0.84 ATM (0.43) ATMITGA4ITGB7NPSR1CTSK
SCHEMBL2189397 0.81 ATM (0.45) ATMITGA4ITGB7NPSR1REN
SCHEMBL12050814 0.81 BCHE (0.53) ATMITGA4ITGB7RENCTSK
SCHEMBL2476924 0.80 MMP13 (0.46) ATMITGA4ITGB7RENCTSK
SCHEMBL1401042 0.80 MMP13 (0.46) ATMITGA4ITGB7RENCTSK

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-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed