SCHEMBL10442007

SCHEMBL10442007

CC(=O)Oc1ccc(CC(=O)O)c(Br)c1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CFD P00746 2/20 0.43
HSD17B10 Q99714 2/20 0.41
PTPN1 P18031 2/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CA2 P00918 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL10546978 0.84 PTPN1 (0.47) MAPK1CFDHSD17B10PTPN1KDM4E
SCHEMBL10442008 0.81 MAPK1 (0.50) MAPK1CFDHSD17B10PTPN1KDM4E
SCHEMBL9876858 0.79 MAPK1 (0.58) MAPK1HSD17B10PTPN1KDM4ETSHR
SCHEMBL149945 0.79 HSD17B10 (0.53) HSD17B10PTPN1KDM4ETSHRALDH1A1
SCHEMBL10441976 0.79 CRHBP (0.40) MAPK1CFDHSD17B10PTPN1KDM4E
SCHEMBL6786368 0.77 HSD17B10 (0.44) MAPK1CFDHSD17B10PTPN1KDM4E
SCHEMBL21617915 0.76 ABCB11 (0.42) MAPK1HSD17B10KDM4EALDH1A1GAA
SCHEMBL27517149 0.74 TDP1 (0.49) MAPK1HSD17B10PTPN1KDM4ETSHR
SCHEMBL2381169 0.73 CXCL8 (0.56) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL24541754 0.72 HSD17B10 (0.53) MAPK1HSD17B10KDM4ETSHRALDH1A1

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