SCHEMBL9766207

SCHEMBL9766207

CC1=C(c2ccccc2)C(=O)OC1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.48
PTGS2 P35354 8/20 0.42
PDE4B Q07343 2/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
HK2 P52789 1/20 0.36
PTGS1 P23219 4/20 0.35
ALDH1A1 P00352 2/20 0.35
ABCB11 O95342 1/20 0.35
MT-CO2 P00403 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MC4R P32245 1/20 0.35
MAPT P10636 2/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10437139 0.90 ALDH2 (0.42) ALDH2PTGS2PDE4BKMT2APOLB
SCHEMBL6672818 0.71 PTGS2 (0.72) PTGS2PTGS1ALDH1A1ABCB11MT-CO2
Bromide SCHEMBL9766218 0.70 ALDH2 (0.46) ALDH2PTGS2PDE4BKMT2APOLB
SCHEMBL28257026 0.63 PDE4B (0.54) PTGS2PDE4BKMT2ALMNAALDH1A1
SCHEMBL7258464 0.63 PDE4B (0.54) PTGS2PDE4BKMT2APOLBLMNA
SCHEMBL20121190 0.63 PDE4B (0.54) PTGS2PDE4BKMT2ALMNAALDH1A1
SCHEMBL20161110 0.63 PDE4B (0.54) PTGS2PDE4BKMT2ALMNAALDH1A1
SCHEMBL6348979 0.63 PTGS2 (0.71) ALDH2PTGS2PDE4BKMT2APOLB
SCHEMBL10684202 0.63 PTGS2 (0.55) PTGS2PDE4BKMT2AMEN1LMNA
SCHEMBL28460097 0.62 PDE4B (0.46) PTGS2PDE4BKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064649-A CEPHALOSPORIN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-11-12 US disclosed
EP-0359536-A2 Cephalosporin compounds, process for their preparation and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1990-03-21 EP disclosed