SCHEMBL9205461

SCHEMBL9205461

CC(=O)Oc1ccc2c(c1OC(C)=O)CNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CFD P00746 1/20 0.36
TOP1 P11387 1/20 0.36
HPGD P15428 2/20 0.35
MPI P34949 1/20 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
SCHEMBL9202430 0.81 MAPT (0.39) MAPK1KDM4EALDH1A1GAATSHR
SCHEMBL27901025 0.79 MAPK1 (0.42) MAPK1KDM4EALDH1A1GAATSHR
SCHEMBL10797761 0.77 GRIN2D (0.42) MAPK1KDM4EALDH1A1GAATSHR
SCHEMBL9202320 0.77 TOP1 (0.41) MAPK1KDM4EALDH1A1GAATSHR
SCHEMBL9385189 0.76 MAPK1 (0.38) MAPK1DRD2DRD1KDM4EALDH1A1
SCHEMBL10792983 0.75 GRIN2D (0.46) MAPK1KDM4EALDH1A1GAATSHR
SCHEMBL9389470 0.74 MAPT (0.43) MAPK1DRD2DRD1KDM4EALDH1A1
SCHEMBL9202003 0.73 KDM4E (0.46) KDM4EALDH1A1GAATSHRRAB9A
SCHEMBL10791698 0.73 TNFSF11 (0.47) ALDH1A1GAATSHRMAPTPOLB
Bromide SCHEMBL9203031 0.72 KDM4E (0.45) KDM4EALDH1A1GAATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186187-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-02-26 EP claimed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP claimed
EP-0452987-B1 Isoindoline derivatives BANYU PHARMA CO LTD (JP) 1995-03-01 EP disclosed
EP-0186187-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-02-26 EP disclosed
EP-0452987-A1 Isoindoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-23 EP disclosed
US-4677100-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-06-30 US disclosed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP disclosed