SCHEMBL7062874

SCHEMBL7062874

COC(=O)C1CCN1C(C)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 3/20 0.42
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
SLC6A2 P23975 3/20 0.40

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
SCHEMBL6229831 1.00 TSHR (0.45) TSHRALDH1A1KMT2ASLC6A3SLC6A4
SCHEMBL6232109 1.00 TSHR (0.45) TSHRALDH1A1KMT2ASLC6A3SLC6A4
SCHEMBL6233893 0.89 TSHR (0.45) TSHRSLC6A3
SCHEMBL6231643 0.89 TSHR (0.45) TSHRSLC6A3
SCHEMBL7067185 0.87 TSHR (0.58) TSHRSLC6A3SLC6A4SLC6A2
SCHEMBL6231716 0.87 PKM (0.44) TSHRALDH1A1KMT2ASLC6A3SLC6A4
SCHEMBL6233365 0.87 PKM (0.44) TSHRALDH1A1KMT2ASLC6A3SLC6A4
SCHEMBL7062139 0.87 CHRNA1 (0.43) TSHRALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL7068098 0.87 PKM (0.44) TSHRALDH1A1KMT2ASLC6A3SLC6A4
SCHEMBL6231109 0.87 TSHR (0.58) TSHRSLC6A3SLC6A4SLC6A2

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-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed