SCHEMBL6231716

SCHEMBL6231716

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
HSD11B1 P28845 1/20 0.43
CHRM2 P08172 4/20 0.42
HPGD P15428 1/20 0.42
CHRM1 P11229 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACACB O00763 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL6233365 1.00 PKM (0.44) PKMTSHRHSD11B1CHRM2HPGD
SCHEMBL7068098 1.00 PKM (0.44) PKMTSHRHSD11B1CHRM2HPGD
SCHEMBL7067467 0.89 SLC6A2 (0.44) PKMHSD11B1CHRM2HPGDCHRM1
SCHEMBL6231643 0.87 TSHR (0.45) TSHRSLC6A3
SCHEMBL6233893 0.87 TSHR (0.45) TSHRSLC6A3
SCHEMBL7062135 0.87 GAA (0.45) HSD11B1CHRM2HPGDCHRM1CHRM4
SCHEMBL6229831 0.87 TSHR (0.45) TSHRALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL7062874 0.87 TSHR (0.45) TSHRALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL6232109 0.87 TSHR (0.45) TSHRALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL7065723 0.87 ALDH1A1 (0.46) TSHRHSD11B1CHRM2RAB9ANPC1

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-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
EP-0957089-A1 Method for racemization of optically active azetidine-2-carboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-17 EP disclosed