SCHEMBL9822108

SCHEMBL9822108

CC(=O)OCc1cc(O)n2nc(COC(C)=O)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL9822317 0.87 KDM4E (0.51) KDM4ERECQLALDH1A1TP53ALOX15
SCHEMBL9822154 0.87 KDM4E (0.39) KDM4ERECQLALDH1A1TP53KMT2A
SCHEMBL9821955 0.87 TP53 (0.42) KDM4EALDH1A1TP53HTTL3MBTL1
SCHEMBL9821957 0.84 KDM4E (0.37) KDM4ERECQLALDH1A1L3MBTL1KMT2A
SCHEMBL10396813 0.83 KDM4E (0.36) KDM4EALDH1A1TP53KMT2AMAPT
SCHEMBL9822141 0.78 KDM4E (0.50) KDM4ERECQLALDH1A1TP53ALOX15
SCHEMBL27387597 0.76 KDM4E (0.37) KDM4ERECQLALDH1A1TP53ALOX15
SCHEMBL9142508 0.75 KDM4E (0.36) KDM4EALDH1A1TP53KMT2APOLB
SCHEMBL9822263 0.74 TP53 (0.39) KDM4EALDH1A1TP53HTTL3MBTL1
SCHEMBL19195006 0.74 KDM4E (0.36) KDM4ERECQLALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed