SCHEMBL9356659

SCHEMBL9356659

CN1CCN(CC(=O)c2ccc(O)c(O)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPG P10696 8/20 0.70
ALPL P05186 7/20 0.70
NSD2 O96028 5/20 0.60
GAA P10253 4/20 0.60
POLB P06746 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
GFER P55789 2/20 0.57
PLAA Q9Y263 5/20 0.53
CNR2 P34972 1/20 0.50
ALPI P09923 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL26921558 0.80 ALDH1A1 (0.60) GAAPOLBKDM4EALDH1A1MAPT
SCHEMBL9336299 0.79 ALPG (0.59) ALPGALPLNSD2GAAPOLB
SCHEMBL2616297 0.79 KMT2A (0.76) ALPLKDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9256725 0.78 ALPG (0.61) ALPGALPLNSD2GAAPOLB
SCHEMBL26921592 0.78 KMT2A (0.60) GAAPOLBKDM4EALDH1A1MAPT
SCHEMBL9660142 0.78 TSHR (0.68) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL15298888 0.78 ALDH1A1 (0.70) NSD2GAAPOLBKDM4EALDH1A1
SCHEMBL9660120 0.78 KMT2A (0.55) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL6403309 0.77 ALPG (0.64) ALPGALPLNSD2GAAPOLB
SCHEMBL11736207 0.77 ALDH1A1 (0.68) POLBALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 EP disclosed
US-5143910-A PIPERAZINIOCEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1992-09-01 US disclosed
EP-0416410-A1 Piperaziniocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed