SCHEMBL31229604

SCHEMBL31229604

CCOC(=O)c1cc2ccc(C3CCOCC3)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 7/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 4/20 0.40
▸ GLA P06280 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CA12 O43570 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
SCHEMBL31423089 0.90 MAOB (0.51) MAOBMAOAALDH1A1LMNAL3MBTL1
SCHEMBL31422768 0.89 MAOB (0.53) MAOBMAOAALDH1A1LMNAL3MBTL1
SCHEMBL31423110 0.88 KDM4E (0.40) ALDH1A1LMNAL3MBTL1KDM4EHSD17B10
SCHEMBL31423294 0.83 TBK1 (0.45) MAOBALDH1A1KDM4EGAAPOLB
SCHEMBL31423253 0.79 ALDH1A1 (0.47) MAOBMAOAALDH1A1LMNAL3MBTL1
SCHEMBL29479161 0.79 KDM4E (0.44) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL27096449 0.79 KDM4E (0.44) ALDH1A1L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL31273396 0.77 KDM4E (0.42) ALDH1A1LMNAL3MBTL1KDM4EHSD17B10
SCHEMBL21354823 0.77 ALOX15 (0.64) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL23732403 0.76 RAB9A (0.60) MAOBMAOAALDH1A1LMNAL3MBTL1

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-2024222866-A1 CYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2024-10-31 — — WO disclosed
Send feedback