SCHEMBL8944137

SCHEMBL8944137

O=[C]C(O)c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.48
ADRA1A P35348 2/20 0.48
MIF P14174 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
HIF1A Q16665 4/20 0.46
TSHR P16473 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
HTR7 P34969 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL7262478 0.79 ESR1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL9781895 0.79 CPN1 (0.47) TSHRLMNAKDM4EGAACA12
SCHEMBL3496129 0.79 ESR1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL9256909 0.79 ESR1 (0.59) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL6966592 0.79 ADRB1 (0.48) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL910504 0.78 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL8943834 0.78 IDO1 (0.41) SLC6A3ALDH1A1CYP3A4CA14CA1
SCHEMBL10482997 0.78 ESR1 (0.44) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10616896 0.78 ACP3 (0.47) ADRB1TSHRADRB2ADRB3LMNA
SCHEMBL7192759 0.78 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
EP-0211540-B1 INTERMEDIATES AND PROCESS FOR ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-05-16 EP disclosed
EP-0244195-A1 2-Vinylpenams and process THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1987-11-04 EP disclosed
US-4533497-A N-ethylidene azetidinones ELI LILLY AND COMPANY (US) 1985-08-06 US disclosed
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 US disclosed
US-4145538-A 3-Carbamyloxymethyl-cephalosporins ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4065618-A Process for 3-H-3-cephem esters ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 US disclosed
US-4013651-A 3-SUBSTITUTED AMINO-CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1977-03-22 US disclosed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3988325-A 7-Carboxy or 2,2,2-trichloroethoxy carbonyl- cephalosporins ELI LILLY AND COMPANY (US) 1976-10-26 US disclosed
US-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962214-A Process for preparing amino substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed
US-3954731-A Process for preparing 6-alkoxypenicillanic and 7-alkoxycephalosporin acids ELI LILLY AND COMPANY (US) 1976-05-04 US disclosed