SCHEMBL9216792

SCHEMBL9216792

CCOC(=O)N1CCC(CCCC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
FAAH O00519 1/20 0.43
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9219963 0.90 GAA (0.54) GAAL3MBTL1THRBATMKMT2A
SCHEMBL13871671 0.85 GAA (0.56) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL9215393 0.84 GAA (0.54) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL544238 0.83 FAAH (0.58) ITGB3ITGA2BFAAHKDM4E
SCHEMBL9217362 0.83 GAA (0.53) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL9221417 0.83 GAA (0.53) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL10372343 0.83 GAA (0.57) GAAL3MBTL1THRBATMALDH1A1
SCHEMBL1103880 0.82 FAAH (0.59) ITGB3ITGA2BFAAH
SCHEMBL9217878 0.81 GAA (0.47) GAAL3MBTL1THRBATMITGB3
SCHEMBL9200805 0.80 GAA (0.57) GAAL3MBTL1THRBATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed