SCHEMBL5699237

SCHEMBL5699237

NC(=O)COc1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.49
APP P05067 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
PARP1 P09874 1/20 0.46
SYK P43405 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
WDR5 P61964 1/20 0.45

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
SCHEMBL3103775 0.83 LMNA (0.66) CYP3A4MAPK1APPCHRNB2CHRNA4
Phenol SCHEMBL27278869 0.83 ALOX15 (0.59)
SCHEMBL8082700 0.81 CYP3A4 (0.59) CYP3A4MAPK1APPCHRNB2CHRNA4
SCHEMBL655613 0.81 CYP3A4 (0.56) CYP3A4APPLMNAWDR5
SCHEMBL10967871 0.81 CYP3A4 (0.50) CYP3A4MAPK1APPCHRNB2CHRNA4
SCHEMBL9205693 0.80 WDR5 (0.70) FFAR1LMNAWDR5
SCHEMBL4777988 0.80 LMNA (0.72) CYP3A4LMNAPARP1
SCHEMBL14783716 0.80 MEN1 (0.54) MAPK1LMNAPARP1
SCHEMBL7978367 0.80 HSD17B10 (0.58) LMNAPARP1
SCHEMBL5532773 0.80 KMT2A (0.60) MAPK1LMNA

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
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
EP-1021159-B1 PHOTORESPONSIVE SUNSCREEN COMPOSITIONS CALIFORNIA INST OF TECHN (US) 2006-07-12 EP disclosed
EP-0073100-B1 BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND THEIR USE BEECHAM GROUP PLC (GB) 1985-10-02 EP disclosed
EP-0067518-B1 MODIFIED BETA-LACTAM COMPOUNDS BEECHAM GROUP PLC (GB) 1985-08-21 EP disclosed
US-4517124-A REACTION OF A MERCAPTAN TO FORM ANTIVIOTIC BEECHAM GROUP LIMITED (GB) 1985-05-14 US disclosed
EP-0046363-B1 PROCESS FOR THE PREPARATION OF 2-THIO PENEM DERIVATIVES AND INTERMEDIATES THEREFOR BEECHAM GROUP PLC (GB) 1984-11-14 EP disclosed
EP-0034443-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-09-26 EP disclosed
US-4463010-A 1-Aza-[3.2.0]-bicycloheptane-2-carboxylic acid, ester or salt thereof BEECHAM GROUP P.L.C. (GB) 1984-07-31 US disclosed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US disclosed
EP-0084730-A1 Esters of penicillin derivatives with beta-lactamase inhibitors, their preparation and their use BEECHAM GROUP PLC (GB) 1983-08-03 EP disclosed
US-4387051-A β-Lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1983-06-07 US disclosed
EP-0073100-A1 Beta-lactam compounds, their preparation and their use BEECHAM GROUP PLC (GB) 1983-03-02 EP disclosed
EP-0067518-A1 Modified beta-lactam compounds BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
EP-0046363-A1 Process for the preparation of 2-thio penem derivatives and intermediates therefor BEECHAM GROUP PLC (GB) 1982-02-24 EP disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 EP disclosed