SCHEMBL9201182

SCHEMBL9201182

CCOC(=O)N1CCC(CC(=O)O)CC1CC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8089152 0.87 GAA (0.33) GAAL3MBTL1ALDH1A1ELANECTSG
SCHEMBL5255605 0.85 SMN1; SMN2 (0.38) ALDH1A1ATMKDM4E
SCHEMBL10949793 0.84 SMN1; SMN2 (0.46) ELANERAB9A
SCHEMBL11094981 0.83 POLB (0.33) ALDH1A1ATMTSHRFFAR4TDP1
SCHEMBL11126941 0.76 TSHR (0.35) ALDH1A1TSHRFFAR4TDP1MAPT
SCHEMBL8695108 0.75 ACHE (0.41) TSHR
SCHEMBL4070279 0.74 GAA (0.57) GAAL3MBTL1ALDH1A1THRBATM
SCHEMBL19097289 0.74 ATM (0.43) ALDH1A1ATMKDM4E
SCHEMBL9806686 0.74 FFAR1 (0.43) GAAL3MBTL1ALDH1A1THRBATM
SCHEMBL9220591 0.73 KDM4E (0.47) GAAL3MBTL1ALDH1A1THRBATM

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-0435381-B1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1995-11-02 EP disclosed
US-5196535-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
US-5112825-A Antirhinoviral heteroamine-substituted pyridazines JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-12 US disclosed
US-5100893-A Viricides, effective against picorna virus, durability JANSSEN PHARMACEUTICA N.V. (BE) 1992-03-31 US disclosed
EP-0435381-A1 Antipicornaviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-03 EP disclosed