SCHEMBL7572026

SCHEMBL7572026

CC=CC1=C(C(=O)O)N2C(=O)C(N)[C@H]2SC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
PTGS2 P35354 1/20 0.54
DRD3 P35462 1/20 0.54
TDP1 Q9NUW8 5/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
SPOP O43791 6/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
ABCC4 O15439 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL27965816 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL5718272 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL29613252 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL10711332 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL5718275 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL13608106 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL3986284 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL1037350 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL1037351 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10
SCHEMBL14195114 1.00 DRD2 (0.54) DRD2PTGS2DRD3TDP1HSD17B10

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528343-B1 New process for the production of cephalosporines and novel intermediates in this process BIOCHEMIE GMBH (AT) 2002-09-18 EP claimed
US-5644052-A MULTISTAGE REACTION TO PRODUCE CEPHALOSPORINS AND CHEMICAL INTERMEDIATES BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1997-07-01 US claimed
WO-1997003990-A1 ISOMER SEPARATION BIOCHEMIE GESELLSCHAFT MBH (AT) 1997-02-06 WO claimed
EP-0528343-A2 New process for the production of cephalosporines and novel intermediates in this process BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1993-02-24 EP claimed
JP-5194533-A None JP disclosed
WO-2015071493-A1 CHEMOENZYMATIC SYNTHESIS OF THE CEPHALOSPORINE INTERMEDIATE 7-AMINO-3-ALKENYLCEPHEM-4-CARBOXYLIC ACID SANDOZ AG (CH) 2015-05-21 WO disclosed
EP-2873736-A1 Chemoenzymatic synthesis of the cephalosporine intermediate 7-amino-3-alkenylcephem-4-carboxylic acid Sandoz AG (CH) 2015-05-20 EP disclosed
EP-0528343-B1 New process for the production of cephalosporines and novel intermediates in this process BIOCHEMIE GMBH (AT) 2002-09-18 EP disclosed
US-6169180-B1 NEW ECONOMICAL AND SIMPLE PROCESS, USING NEW INTERMEDIATE COMPOUND, FOR THE PRODUCTION OF 3'-SUBSTITUTED 7-AMINO-3-PROPENYL-4-CEPHEM-CARBOXYLIC ACID DERIVATIVES BIOCHEMIE GESELLSCHAFT (AT) 2001-01-02 US disclosed
US-6169180-B1 NEW ECONOMICAL AND SIMPLE PROCESS, USING NEW INTERMEDIATE COMPOUND, FOR THE PRODUCTION OF 3'-SUBSTITUTED 7-AMINO-3-PROPENYL-4-CEPHEM-CARBOXYLIC ACID DERIVATIVES BIOCHEMIE GESELLSCHAFT (AT) 2001-01-02 US disclosed
US-5686604-A Cephalosporines BIOCHEMIE GESELLSCHAFT (AT) 1997-11-11 US disclosed
US-5686604-A Cephalosporines BIOCHEMIE GESELLSCHAFT (AT) 1997-11-11 US disclosed
US-5644052-A MULTISTAGE REACTION TO PRODUCE CEPHALOSPORINS AND CHEMICAL INTERMEDIATES BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1997-07-01 US disclosed
US-5644052-A MULTISTAGE REACTION TO PRODUCE CEPHALOSPORINS AND CHEMICAL INTERMEDIATES BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1997-07-01 US disclosed
JP-H05194533-A NEW PRODUCTION OF CEPHALOSPORINES AND NEW INTERMEDIATE BIOCHEM GMBH 1993-08-03 JP disclosed
EP-0528343-A2 New process for the production of cephalosporines and novel intermediates in this process BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1993-02-24 EP disclosed
EP-0528343-A2 New process for the production of cephalosporines and novel intermediates in this process BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1993-02-24 EP disclosed