SCHEMBL7440588

SCHEMBL7440588

CC(C)(C)OC(=O)NCc1ccc2c(c1)C(C[C]=O)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
GRM2 Q14416 1/20 0.36
HPGD P15428 2/20 0.35
HTR2A P28223 1/20 0.35
GAA P10253 1/20 0.35
KDM4A O75164 1/20 0.35
GLS O94925 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
SCHEMBL7428732 0.87 SMN1; SMN2 (0.44) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL10444057 0.77 ACE (0.49)
SCHEMBL10444059 0.77 ACE (0.49)
SCHEMBL10444056 0.75 KLK5 (0.49) L3MBTL1ALDH1A1
SCHEMBL30932891 0.74 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1HTTTP53HSD17B10
SCHEMBL10443376 0.74 HTR1A (0.34) ALDH1A1GAA
SCHEMBL13594013 0.73 SMN1; SMN2 (0.42) SMN1; SMN2NAMPTL3MBTL1BRD4CREBBP
SCHEMBL13978122 0.72 HTR1A (0.40) ALDH1A1HPGDGAA
SCHEMBL19423686 0.72 SMN1; SMN2 (0.44) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL7438342 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed