SCHEMBL7445058

SCHEMBL7445058

CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccncc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
TDP1 Q9NUW8 4/20 0.56
POLB P06746 3/20 0.56
ROCK2 O75116 2/20 0.56
HCRTR1 O43613 1/20 0.52
NPSR1 Q6W5P4 4/20 0.51
ATM Q13315 1/20 0.51
MLYCD O95822 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
PAX8 Q06710 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL7437414 0.96 MAPT (0.56) MAPTTDP1POLBROCK2HCRTR1
SCHEMBL20250626 0.81 CTSL (0.64) MAPTTDP1POLBROCK2
SCHEMBL28766228 0.81 CTSL (0.64) MAPTTDP1POLBROCK2
SCHEMBL7436414 0.80 MAPT (0.61) MAPTTDP1POLBHCRTR1NPSR1
SCHEMBL7427177 0.80 MAPT (0.64) MAPTTDP1POLBHCRTR1NPSR1
SCHEMBL15630652 0.76 MAPT (0.60) MAPTTDP1POLBNPSR1ATM
SCHEMBL16459753 0.76 CTSS (0.68) MAPTTDP1POLBATMMEN1
SCHEMBL13645698 0.76 MAPT (0.60) MAPTTDP1POLBNPSR1ATM
SCHEMBL18435382 0.76 CTSS (0.68) MAPTTDP1POLBATMMEN1
SCHEMBL16459752 0.76 CTSS (0.68) MAPTTDP1POLBATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 EP claimed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 WO claimed
EP-0364493-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1990-04-25 EP disclosed
WO-1989001488-A1 RENIN INHIBITING PEPTIDES WITH NONPEPTIDE LINKAGES THE UPJOHN COMPANY (US) 1989-02-23 WO disclosed