SCHEMBL8943712

SCHEMBL8943712

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.49
LMNA P02545 4/20 0.47
HIF1A Q16665 4/20 0.47
KDM4E B2RXH2 2/20 0.47
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA6 P23280 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ADRB1 P08588 2/20 0.41
ADRA1A P35348 2/20 0.41
MIF P14174 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9782077 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP2D6GAA
SCHEMBL28245619 0.80 SRC (0.52) LMNAKMT2ACYP2D6SRC
SCHEMBL7773819 0.80 SRC (0.52) LMNAKMT2ACYP2D6SRC
SCHEMBL29725697 0.77 KYNU (0.60) KYNULMNAHIF1AKDM4ECA12
SCHEMBL18557600 0.77 KYNU (0.51) KYNULMNAHIF1AKDM4ECA12
SCHEMBL910504 0.77 ADRB1 (0.52) KYNULMNAHIF1AKDM4ECA12
SCHEMBL13036600 0.77 KYNU (0.60) KYNULMNAHIF1AKDM4ECA12
SCHEMBL29061153 0.77 KYNU (0.60) KYNULMNAHIF1AKDM4ECA12
SCHEMBL1512921 0.77 KYNU (0.60) KYNULMNAHIF1AKDM4ECA12
SCHEMBL31564921 0.77 KYNU (0.60) KYNULMNAHIF1AKDM4ECA12

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
US-5532353-A Process for the preparation of halogenated β-lactam compounds BIOCHIMICA OPOS SPA (IT) 1996-07-02 US disclosed
US-5300497-A Broad spectrum antibiotics and bactericides; stable to beta-lactamase; effective against antibiotic-resistant bacteria TOYAMA CHEMICAL CO., LTD. (JP) 1994-04-05 US disclosed
EP-0570058-A2 Process for the preparation of halogenated beta-lactam compounds BIOCHIMICA OPOS SPA (IT) 1993-11-18 EP disclosed
US-5185330-A Penicillins/ad/ TOYAMA CHEMICAL CO., LTD. (JP) 1993-02-09 US 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-4065621-A Process for 3-alkyl and 3-phenyl cephalosporins ELI LILLY AND COMPANY (US) 1977-12-27 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-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-3985737-A ANTIBACTERIAL AGENTS ELI LILLY AND COMPANY (US) 1976-10-12 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed