SCHEMBL28754347

SCHEMBL28754347

CC(C)(C)OC(=O)N(CCNc1cc(C(=O)O)ccc1N)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.41
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLEC Q15149 1/20 0.38
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LNPEP Q9UIQ6 2/20 0.33
ERAP2 Q6P179 1/20 0.33
KDM1A O60341 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL23273544 0.91 KDM4E (0.40) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL7425320 0.80 KDM4E (0.38) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL19020075 0.75 PTGER4 (0.48) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL23189034 0.74 GAA (0.47) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL5240270 0.73 BRD4 (0.48) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL7429986 0.71 ALOX15 (0.42) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL24619470 0.71 HDAC8 (0.48) ALDH1A1KDM1AHSD11B1
SCHEMBL15175798 0.70 PTGER4 (0.46) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL21816632 0.70 CA14 (0.36) KDM1AHSD11B1
SCHEMBL27556392 0.70 GCGR (0.41) ALDH1A1

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
CN-114630823-A GLP-1R modulating compounds 吉利德科学公司 2022-06-14 CN disclosed