SCHEMBL7326560

SCHEMBL7326560

CC(C)C[C@H](N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
MAPK1 P28482 1/20 0.52
MME P08473 2/20 0.51
ACE P12821 2/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL9442931 1.00 REN (0.57) RENPOLBMAPTTDP1ATM
SCHEMBL9442952 1.00 REN (0.57) RENPOLBMAPTTDP1ATM
SCHEMBL8861579 0.91 ITGA4 (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL9069632 0.91 ITGA4 (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL9069634 0.91 ITGA4 (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL7388993 0.90 REN (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL7316102 0.90 REN (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL10448523 0.90 REN (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL7380187 0.88 REN (0.58) RENPOLBMAPTTDP1ATM
SCHEMBL9443008 0.88 REN (0.58) RENPOLBMAPTTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed