SCHEMBL21753357

SCHEMBL21753357

O=C(O)NCCCC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 9/20 0.63
▸ WNT3A P56704 8/20 0.63
▸ ALDH1A1 P00352 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ HPGD P15428 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAOB P27338 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KLF5 Q13887 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52

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
SCHEMBL21753281 0.92 PKM (0.65) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL13114817 0.81 ALDH1A1 (0.55) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL21753323 0.80 ALDH1A1 (0.47) CTNNB1WNT3AALDH1A1HPGDSMN1; SMN2
SCHEMBL7422841 0.80 ALDH1A1 (0.66) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL15162004 0.80 ALDH1A1 (0.70) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL29458253 0.78 MEN1 (0.76) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL2237626 0.78 MEN1 (0.76) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL7385092 0.78 ALDH1A1 (0.64) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL19399114 0.78 CTNNB1 (0.64) CTNNB1WNT3AALDH1A1KDM4EHPGD
SCHEMBL15272906 0.78 ALDH1A1 (0.68) CTNNB1WNT3AALDH1A1KDM4EHPGD

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
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 — — WO disclosed
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