SCHEMBL30366327

SCHEMBL30366327

CCOC(=O)NC1=C(NCCO)C(=O)C(NC(=O)OCC)=C(NCCO)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ TDP2 O95551 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ CASP6 P55212 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL9689335 0.86 CYP1A2 (0.48) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL9426400 0.80 KMT2A (0.47) ALDH1A1KDM4EGAALMNACYP1A2
SCHEMBL29286053 0.78 MAPT (0.41) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL16317912 0.72 CYP1A2 (0.43) ALDH1A1KDM4EGAALMNACYP1A2
SCHEMBL10740378 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1MAPTMAPK1
SCHEMBL10792423 0.70 NSD2 (0.51) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL10740240 0.69 CYP1A2 (0.49) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL499386 0.68 — —
Diaziquone SCHEMBL4975 0.67 NSD2 (0.59) ALDH1A1KDM4EGAAMAPTMAPK1
Water SCHEMBL28577466 0.66 ACHE (0.52) L3MBTL1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240392220-A1 BRANDY REPLICAS AVA FOOD LABS, INC. 2024-11-28 — — US disclosed
EP-4408967-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2024-08-07 — — EP disclosed
WO-2023055801-A1 BRANDY REPLICAS AVA FOOD LABS, INC. (US) 2023-04-06 — — WO disclosed
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