SCHEMBL10697403

SCHEMBL10697403

CC(=O)Oc1cccc([C]=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
PTGS2 P35354 6/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
BLM P54132 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ACHE P22303 1/20 0.44
CYP3A4 P08684 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6197525 0.84 MAOB (0.45) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL744605 0.83 PTGS2 (0.53) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL8766243 0.82 KDM4E (0.55) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL5566305 0.82 ACHE (0.56) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL812108 0.82 MAPK1 (0.57) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL4229681 0.79 KDM4E (0.57) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL1458762 0.79 HSD17B10 (0.56) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL2878372 0.76 KDM4E (0.57) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6198034 0.76 PTPN1 (0.54) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL10697401 0.75 KDM4E (0.42) MAPK1KDM4EHSD17B10ALDH1A1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265185-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed