SCHEMBL29009159

SCHEMBL29009159

COC(=O)CC(=O)NC(C(=O)OC)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
ATM Q13315 1/20 0.45
TACR3 P29371 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL29009189 0.86 ESR1 (0.49) ATMTACR3GPR88
SCHEMBL29009155 0.85 CNR2 (0.45) CNR2TACR3
SCHEMBL29009166 0.85 ALDH1A1 (0.46) CNR2ALDH1A1HTTNPSR1GAA
SCHEMBL4242518 0.84 KMT2A (0.56) ATMTACR3ALDH1A1NPSR1GPR88
SCHEMBL12217089 0.77 SMN1; SMN2 (0.43) GAA
SCHEMBL17727241 0.77 ROCK2 (0.48) CNR2ATMTACR3NPSR1
SCHEMBL13808330 0.75 NPSR1 (0.50) CNR2ATMTACR3ALDH1A1NPSR1
SCHEMBL2426585 0.75 NPSR1 (0.50) CNR2ATMTACR3ALDH1A1NPSR1
SCHEMBL19736004 0.75 SMN1; SMN2 (0.50) TACR3ALDH1A1NPSR1GPR88
SCHEMBL2426587 0.75 NPSR1 (0.50) CNR2ATMTACR3ALDH1A1NPSR1

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-116217458-A 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition 湖北民族大学 2023-06-06 CN disclosed