SCHEMBL31046716

SCHEMBL31046716

CN(C)c1ccc(CC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.61
▸ GAA P10253 4/20 0.55
▸ ACHE P22303 3/20 0.55
▸ MGAM O43451 1/20 0.55
▸ SI P14410 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ MGAM2 Q2M2H8 1/20 0.55
▸ HPGD P15428 8/20 0.41
▸ KDM4E B2RXH2 8/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ PGR P06401 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CA9 Q16790 2/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ CA12 O43570 1/20 0.34

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
SCHEMBL4742596 0.84 MAOA (0.71) MAOAGAAACHEMGAMSI
SCHEMBL31046711 0.82 MAOA (0.67) MAOAGAAACHEMGAMSI
SCHEMBL14303567 0.81 MAOA (0.79) MAOAGAAACHEMGAMSI
SCHEMBL4740846 0.81 MAOA (0.79) MAOAGAAACHEMGAMSI
SCHEMBL23335092 0.80 MAOA (0.61) MAOAGAAACHEMGAMSI
SCHEMBL23302729 0.79 MAOA (0.60) MAOAGAAACHEMGAMSI
SCHEMBL23302731 0.79 MAOA (0.60) MAOAGAAACHEMGAMSI
SCHEMBL31046697 0.78 MAOA (0.59) MAOAGAAACHEMGAMSI
SCHEMBL31046690 0.78 MAOA (0.59) MAOAGAAACHEMGAMSI
SCHEMBL31046724 0.78 MAOA (0.61) MAOAGAAACHEMGAMSI

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
WO-2024172513-A1 NOVEL DECURSIN DERIVATIVE AND USE THEREOF FOR PREVENTING OR TREATING NON-SMALL CELL LUNG CANCER (주)재인알앤피 2024-08-22 — — WO claimed
WO-2024172513-A1 NOVEL DECURSIN DERIVATIVE AND USE THEREOF FOR PREVENTING OR TREATING NON-SMALL CELL LUNG CANCER (주)재인알앤피 2024-08-22 — — WO disclosed
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