SCHEMBL8388644

SCHEMBL8388644

CCN(CC(=O)O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 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
SCHEMBL7324391 0.91 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7327670 0.90 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5243002 0.90 MEN1 (0.47) MEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7333956 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9233386 0.86 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL13180378 0.86 PIK3CD (0.41) MEN1KMT2AALDH1A1
SCHEMBL641812 0.85 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL11186742 0.85 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL18829310 0.83 DRD3 (0.40) ALDH1A1TDP1EYA2APPACE
SCHEMBL10824154 0.81 TDP1 (0.36) TDP1EYA2APPACEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-1053893-C Process for the manufacture of dicarboxamides HOFFMANN LA ROCHE (CH) 2000-06-28 CN disclosed
US-5856505-A Intermediates for the manufacture of dicarboxamides having thrombin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
US-5536867-A Process for the manufacture of dicarboxamides HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US disclosed
CN-1117488-A Process for the manufacture of dicarboxamides HOFFMANN LA ROCHE (CH) 1996-02-28 CN disclosed
EP-0684238-A2 Process for the manufacture of dicarboxamides F. HOFFMANN-LA ROCHE AG (CH) 1995-11-29 EP disclosed