SCHEMBL10548645

SCHEMBL10548645

C=CCOC(=O)C(=[N+]=[N-])C(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL8970712 0.85 CYP3A4 (0.38) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10924650 0.83 CYP3A4 (0.33) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL9167074 0.82 TSHR (0.36) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL25936073 0.82 TSHR (0.32) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL10561972 0.80 TSHR (0.30) TSHR
SCHEMBL2255510 0.80 SOAT1 (0.39) TSHRMAPT
SCHEMBL6418608 0.79 TSHR (0.46) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL27550038 0.77 HCAR2 (0.33) TSHRTDP1
SCHEMBL14642009 0.76 NPSR1 (0.35) TSHR
SCHEMBL27898356 0.76 TSHR (0.43) TSHRCYP3A4TDP1MAPTCACNA1B

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
CN-1277819-C Process for producing azetidinone compounds TAKASAGO PERFUMERY CO LTD (JP) 2006-10-04 CN disclosed
CN-1610663-A Process for producing azetidinone compounds TAKASAGO PERFUMERY CO LTD (JP) 2005-04-27 CN disclosed
US-4841043-A Stereoselective synthesis of 1-β-alkyl carbapenem antibiotic intermediates BRISTOL-MYERS COMPANY (US) 1989-06-20 US disclosed
US-4841042-A Process for the preparation of carbapenem intermediates BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0195963-A1 Process for the preparation of carbapenem intermediates BAYER AG (DE) 1986-10-01 EP disclosed