SCHEMBL9675632

SCHEMBL9675632

CC(C)CC(=O)OC[C@@H]1CCCN1C(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.40
PREP P48147 1/20 0.39
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 4/20 0.38
CYP2D6 P10635 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR2 O43614 2/20 0.35
ACE P12821 4/20 0.35
REN P00797 2/20 0.35
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
LTA4H P09960 1/20 0.35
MAPT P10636 1/20 0.35
PEPD P12955 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9676526 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL22296756 0.85 SMN1; SMN2 (0.45) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL22900003 0.85 SMN1; SMN2 (0.45) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL7542669 0.81 SMN1; SMN2 (0.45) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL7539826 0.80 POLB (0.59) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL26724937 0.80 SMN1; SMN2 (0.49) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL19432460 0.80 SMN1; SMN2 (0.49) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL9675542 0.80 POLB (0.59) SMN1; SMN2RAB9APREPDPP4DPP8
SCHEMBL14558048 0.76 ITGB1 (0.41) RAB9AHCRTR2
SCHEMBL12413729 0.76 HRH3 (0.49) CYP2D6PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed