SCHEMBL27313154

SCHEMBL27313154

CC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.60
RECQL P46063 3/20 0.60
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NR1H3 Q13133 1/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.45
BLM P54132 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL10600709 0.85 RECQL (0.57) ALDH1A1HSD17B10RECQLNPC1RAB9A
SCHEMBL4424149 0.76 KMT2A (0.63) ALDH1A1KMT2AMEN1NR1H3HTT
SCHEMBL5212814 0.76 MAPK1 (0.71) ALDH1A1HSD17B10RECQLMAPK1KMT2A
SCHEMBL8676657 0.74 MAPK1 (0.60) ALDH1A1HSD17B10RECQLMAPK1SMN1; SMN2
SCHEMBL29350633 0.73 MAPK1 (0.62) ALDH1A1HSD17B10RECQLMAPK1SMN1; SMN2
SCHEMBL11337329 0.73 NPC1 (0.54) ALDH1A1HSD17B10RECQLMAPK1NPC1
SCHEMBL8676653 0.72 PTGS2 (0.61) ALDH1A1HSD17B10MAPK1NPC1RAB9A
SCHEMBL10596845 0.72 MAPK1 (0.57) ALDH1A1HSD17B10MAPK1HTTKDM4E
SCHEMBL30758650 0.72 KMT2A (0.76) ALDH1A1KMT2AMEN1NR1H3HTT
SCHEMBL29168849 0.72 KMT2A (0.76) ALDH1A1KMT2AMEN1NR1H3HTT

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
CN-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN disclosed