SCHEMBL4960970

SCHEMBL4960970

O=[C]CNc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 3/20 0.47
CASP1 P29466 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 3/20 0.47
BLM P54132 3/20 0.47
THRB P10828 3/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
PLEC Q15149 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
APAF1 O14727 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL10998815 0.85 MAPT (0.35) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL7746719 0.79 MAPT (0.58) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL9782381 0.78 CA1 (0.36) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL5914229 0.77 RPS6KA2 (0.42) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL7109290 0.77 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL11770442 0.77 MAPT (0.41) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL7439011 0.77 MEN1 (0.43) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL11222081 0.77 ARG1 (0.53) ALDH1A1MEN1MAPTKMT2AALOX15
SCHEMBL302557 0.76 ALDH1A1 (0.48) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL15147552 0.76 ADAM17 (0.49) ALDH1A1MEN1MAPTKMT2AL3MBTL1

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 206 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681224-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM Sinochem Pharmaceuticals Netherlands B.V. (NL) 2014-01-08 EP claimed
WO-2012117038-A1 DEGRADATION OF PENICILLIN COMPOUNDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-09-07 WO claimed
EP-0920527-B1 SYNTHESIS OF beta-LACTAM ANTIBACTERIALS USING SOLUBLE SIDE CHAIN ESTERS AND ENZYME ACYLASE BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP claimed
US-20030044884-A1 Synthesis of beta-lactam antibacterials using soluble side chain esters and enzyme acylase USHER JOHN J (US) 2003-03-06 US claimed
EP-0920527-A4 SYNTHESIS OF beta-LACTAM ANTIBACTERIALS USING SOLUBLE SIDE CHAIN ESTERS AND ENZYME ACYLASE BRISTOL MYERS SQUIBB CO (US) 2003-03-05 EP claimed
US-6156534-A Synthesis of β-lactam antibacterials using soluble side chain esters and enzyme acylase BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-05 US claimed
US-5922907-A A CHEMICAL INTERMEDIATE PHENYLGLYCYL HYDROXYETHYL ESTER OR 4-PHENYLGLYCYL HYDROXYETHYL ESTER BRISTOL-MYERS SQUIBB CO. (US) 1999-07-13 US claimed
EP-0920527-A1 SYNTHESIS OF beta-LACTAM ANTIBACTERIALS USING SOLUBLE SIDE CHAIN ESTERS AND ENZYME ACYLASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-09 EP claimed
US-5773435-A ANTITUMOR AGENTS USING CEPHALOSPORINS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-30 US claimed
US-5760011-A USEFUL AGAINST BACTERIAL AND MYCOPLASMIC PATHOGENS PFIZER INC. (US) 1998-06-02 US claimed
EP-0201459-A1 Acylaminomethyl-penem compounds, their preparation and pharmaceutical formulations containing them CIBA-GEIGY AG (CH) 1986-11-12 EP claimed
US-4444771-A Azeto triazolo pyrazine β-lactam antibacterial agents BEECHAM GROUP LIMITED (GB) 1984-04-24 US claimed
EP-0018546-B1 PROCESS FOR THE PRODUCTION OF PHENYLGLYCYL CHLORIDE HYDROCHLORIDES BIOCHEMIE Gesellschaft m.b.H. (AT) 1983-09-28 EP claimed
EP-0048096-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1982-03-24 EP claimed
EP-0004134-B1 BETA-LACTAM ANTIBACTERIAL AGENTS, THEIR PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THEIR PREPARATION BEECHAM GROUP PLC (GB) 1981-12-30 EP claimed
US-4255423-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-10 US claimed
US-4252808-A β-Lactam antibacterial agents, their use in pharmaceutical compositions, the process for their preparation and intermediates for use in that process BEECHAM GROUP LIMITED (GB) 1981-02-24 US claimed
EP-0018546-A2 Process for the production of phenylglycyl chloride hydrochlorides BIOCHEMIE Gesellschaft m.b.H. (AT) 1980-11-12 EP claimed
EP-0004134-A1 Beta-lactam antibacterial agents, their pharmaceutical compositions and process for their preparation BEECHAM GROUP PLC (GB) 1979-09-19 EP claimed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 US claimed