SCHEMBL10442008

SCHEMBL10442008

CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.47
CFD P00746 2/20 0.47
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
TOP1 P11387 2/20 0.42
CA2 P00918 1/20 0.42
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL149946 0.82 TSHR (0.49) CFDTSHRKDM4EALDH1A1GAA
SCHEMBL17086902 0.81 CFD (0.48) HTTCFDTSHRKDM4EALDH1A1
SCHEMBL10442007 0.81 MAPK1 (0.45) MAPK1HTTCFDTSHRKDM4E
SCHEMBL28427140 0.78 NCEH1 (0.50) HTTCFDTSHRKDM4EALDH1A1
SCHEMBL12967710 0.78 CFD (0.46) MAPK1HTTCFDTSHRKDM4E
SCHEMBL10546986 0.77 MAPK1 (0.52) MAPK1HTTCFDTSHRKDM4E
SCHEMBL9477803 0.76 CFD (0.44) MAPK1HTTCFDTSHRKDM4E
SCHEMBL286701 0.76 PTPN1 (0.46) MAPK1HTTCFDTSHRKDM4E
SCHEMBL5212814 0.76 MAPK1 (0.71) MAPK1HTTTSHRKDM4EALDH1A1
SCHEMBL7565582 0.75 PTPN1 (0.51) MAPK1HTTCFDTSHRKDM4E

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-0360298-A2 Intermediate compounds for use in the synthesis of cephalosporin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed