SCHEMBL4719477

SCHEMBL4719477

COC(=O)CNC1=CCC=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TET2 Q6N021 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
POLB P06746 1/20 0.32

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
Hydrochloric Acid SCHEMBL11878758 0.98 KMT2A (0.32) KMT2AKDM4EMEN1GAATSHR
SCHEMBL2368471 0.94 CA12 (0.35) KMT2AKDM4EMEN1GAATSHR
SCHEMBL4719609 0.79
SCHEMBL23470149 0.67 MYC (0.32) KDM4EGAAHSD17B10RXFP1TET2
SCHEMBL16752652 0.66 POLB (0.49) KMT2AKDM4EMEN1GAATSHR
SCHEMBL11277339 0.64 CHRM3 (0.43) KDM4ETSHRHSD17B10ALDH1A1CA12
SCHEMBL4719612 0.64 LMNA (0.36) CA1CA2LMNA
SCHEMBL10951106 0.63 LMNA (0.34) ALDH1A1LMNA
SCHEMBL73416 0.62 TSHR (0.56) KMT2AKDM4EMEN1GAATSHR
SCHEMBL29035804 0.62 KMT2A (0.36) KMT2AKDM4EMEN1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567323-A2 Improved process for preparing cephalosporins ELI LILLY AND COMPANY (US) 1993-10-27 EP claimed
CN-108949736-B High-selectivity cefradine synthetase mutant and encoding gene thereof 清华大学 2022-02-08 CN disclosed
CN-107099523-B Cefradine synthase mutant and its encoding gene 清华大学 2019-09-27 CN disclosed
CN-108949736-A A kind of highly selective Cefradine synthase mutant and its encoding gene 清华大学 2018-12-07 CN disclosed
CN-107099523-A Cefradine synthase mutant and its encoding gene 清华大学 2017-08-29 CN disclosed
EP-0839192-B1 AN IMPROVED IMMOBILIZED PENICILLIN G ACYLASE DSM IP ASSETS BV (NL) 2008-12-10 EP disclosed
EP-1416054-B1 Simple enzymatic process for preparing cefazolin BIOFERMA MURCIA S A (ES) 2005-08-17 EP disclosed
EP-1556500-A1 SIMPLE ENZYMATIC PROCESS FOR PREPARING CEFAZOLIN Bioferma Murcia, S.A. (ES) 2005-07-27 EP disclosed
CN-1572873-A An improved immobilized penicillin G acylase GIST BROCADES BV (NL) 2005-02-02 CN disclosed
CN-1165616-C Improved immobilized penicillin G acylase ��˹�ء����޿���˹�ɷ����޹�˾ 2004-09-08 CN disclosed
WO-2004039997-A1 SIMPLE ENZYMATIC PROCESS FOR PREPARING CEFAZOLIN BIOFERMA MURCIA, S.A. (ES) 2004-05-13 WO disclosed
EP-1416054-A1 Simple enzymatic process for preparing cefazolin Bioferma Murcia, S.A. (ES) 2004-05-06 EP disclosed
US-6060268-A PROVIDES A HIGHER SYNTHESIS/HYDROLYSIS RATIO; FOR PRODUCTION OF BETA-LACTAM DERIVATIVES SUCH AS CEPHALOSPORINS AND PENICILLINS BY REACTING AN AMINO BETA-LACTAM WITH AN ACYLATING AGENT IN THE PRESENCE OF THE IMMOBILIZED ENZYME GIST-BROCADES B.V. (NL) 2000-05-09 US disclosed
CN-1190990-A Improved immobilized penicillin G acylase GIST BROCADES BV (NL) 1998-08-19 CN disclosed
EP-0839192-A1 AN IMPROVED IMMOBILIZED PENICILLIN G ACYLASE GIST-BROCADES B.V. (NL) 1998-05-06 EP disclosed
WO-1997004086-A1 AN IMPROVED IMMOBILIZED PENICILLIN G ACYLASE GIST-BROCADES B.V. (NL) 1997-02-06 WO disclosed