SCHEMBL6231643

SCHEMBL6231643

COC(=O)C1CCN1[C@H](C)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MDM2 Q00987 1/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP19A1 P11511 1/20 0.35
MIF P14174 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL6233893 1.00 TSHR (0.45) TSHRMDM2ESR1ESR2SLC6A3
SCHEMBL6229831 0.89 TSHR (0.45) TSHRSLC6A3
SCHEMBL7062874 0.89 TSHR (0.45) TSHRSLC6A3
SCHEMBL6232109 0.89 TSHR (0.45) TSHRSLC6A3
SCHEMBL7067185 0.87 TSHR (0.58) TSHRMDM2SLC6A3
SCHEMBL7068098 0.87 PKM (0.44) TSHRSLC6A3
SCHEMBL6231109 0.87 TSHR (0.58) TSHRMDM2SLC6A3
SCHEMBL6233365 0.87 PKM (0.44) TSHRSLC6A3
SCHEMBL6231716 0.87 PKM (0.44) TSHRSLC6A3
SCHEMBL6232174 0.87 TSHR (0.58) TSHRMDM2SLC6A3

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
EP-1201653-B1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL CO (JP) 2005-04-20 EP disclosed
EP-0957089-B1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
EP-1201653-A1 Method for racemization of optically active azetidine-2-Carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 EP disclosed
US-6166224-A Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-26 US disclosed
EP-0957089-A1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-17 EP disclosed