SCHEMBL11085145

SCHEMBL11085145

COC(=O)c1[c]ccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
CFTR P13569 2/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA7 P43166 4/20 0.35

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
SCHEMBL17054121 0.81 NR1H2 (0.37) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL11088791 0.79 TDP1 (0.44) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL11086126 0.79 CA12 (0.47) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL28294101 0.79 NR4A2 (0.41) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL128693 0.79 CA1 (0.48) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6170690 0.79 ALDH1A1 (0.36) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL27914228 0.78 MAPT (0.34) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL3982238 0.78 MEN1 (0.42) ALDH1A1MAPTKDM4EMAPK1ATM
SCHEMBL1867402 0.78 ABL1 (0.46) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL1637879 0.78 CA1 (0.46) GAAALDH1A1MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed