SCHEMBL29852287

SCHEMBL29852287

CCOC(=O)C1CCCN(Cc2ccc(C(=O)O)nc2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
KDM4E B2RXH2 7/20 0.68
L3MBTL1 Q9Y468 2/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
BRD4 O60885 1/20 0.53

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
Hydrochloric Acid SCHEMBL29927756 0.99 ALDH1A1 (0.67) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL29852370 0.82 LTA4H (0.52) ALDH1A1KDM4EL3MBTL1ATMKMT2A
SCHEMBL1946258 0.82 L3MBTL1 (0.86) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL8250801 0.82 ALDH1A1 (0.80) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL29927303 0.81 LTA4H (0.51) ALDH1A1KDM4EL3MBTL1ATMKMT2A
Hydrochloric Acid SCHEMBL29927265 0.81 LTA4H (0.51) ALDH1A1KDM4EL3MBTL1ATMKMT2A
SCHEMBL4850083 0.81 ALDH1A1 (0.78) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
Bromide SCHEMBL10462008 0.81 L3MBTL1 (0.84) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL5178089 0.80 ALDH1A1 (0.77) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2
SCHEMBL3701693 0.79 ALDH1A1 (0.83) ALDH1A1KDM4EL3MBTL1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929697-A Azabenzimidazole compounds and medicaments 日本新药株式会社 2022-08-19 CN disclosed