SCHEMBL30701340

SCHEMBL30701340

NC(=O)CCCCCCCCCCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
GAA P10253 1/20 0.56
PAOX Q6QHF9 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
KEAP1 Q14145 1/20 0.53
GLA P06280 1/20 0.53
HTR7 P34969 2/20 0.52
LMNA P02545 2/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL1726737 1.00 KDM4E (0.57) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL5843494 1.00 KDM4E (0.57) KDM4EGAAPAOXSMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL5843429 0.98 GLA (0.56) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL8616993 0.98 KDM4E (0.59) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL1358701 0.92 KDM4E (0.61) KDM4EGAAPAOXSMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL11543248 0.90 GLA (0.60) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL1828633 0.87 EPHX2 (0.53) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL1831207 0.87 EPHX2 (0.53) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL1830494 0.87 EPHX2 (0.53) KDM4EGAAPAOXSMN1; SMN2KEAP1
SCHEMBL951890 0.86 GLA (0.64) KDM4EGAASMN1; SMN2KEAP1GLA

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-117222414-A Compounds for activating constant natural killer T-cells and methods for eliminating inflammatory senescent cells 脱落性治疗公司 2023-12-12 CN disclosed