SCHEMBL31113601

SCHEMBL31113601

CC1CCC(OC(=O)c2cccnc2)CO1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
BCHE P06276 1/20 0.45
KMT2A Q03164 5/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
PDE4D Q08499 1/20 0.41
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL469812 0.84 MEN1 (0.52) BCHEKMT2ALMNAMAPTGAA
SCHEMBL30101255 0.84 MEN1 (0.52) BCHEKMT2ALMNAMAPTGAA
SCHEMBL21243069 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAL3MBTL1MAPT
SCHEMBL30261641 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAL3MBTL1MAPT
SCHEMBL9717131 0.76 ALDH1A1 (0.54) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL24088563 0.76 ALDH1A1 (0.51) ALDH1A1BCHEKMT2ALMNAL3MBTL1
SCHEMBL31113478 0.76 PTPN2 (0.57) KMT2ALMNAL3MBTL1SMN1; SMN2MAPT
Ethyl Nicotinate SCHEMBL25220395 0.75 L3MBTL1 (0.56) ALDH1A1KMT2ALMNAL3MBTL1MAPT
SCHEMBL31704808 0.75 ALDH1A1 (0.53) ALDH1A1BCHEKMT2ALMNAL3MBTL1
SCHEMBL25622071 0.75 ALDH1A1 (0.49) ALDH1A1BCHEKMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683641-A1 AZITHROMYCIN DERIVATIVES FOR USE IN THE TREATMENT OF EOSINOPHIL-RELATED DISEASES EpiEndo Pharmaceuticals ehf. (IS) 2026-01-28 EP disclosed
WO-2024194494-A1 AZITHROMYCIN DERIVATIVES FOR USE IN THE TREATMENT OF EOSINOPHIL-RELATED DISEASES EPIENDO PHARMACEUTICALS EHF (IS) 2024-09-26 WO disclosed