SCHEMBL31046690

SCHEMBL31046690

CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)CCc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.59
▸ GAA P10253 3/20 0.52
▸ ACHE P22303 2/20 0.52
▸ MGAM O43451 1/20 0.52
▸ SI P14410 1/20 0.52
▸ PTPN1 P18031 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ HPGD P15428 6/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL31046697 1.00 MAOA (0.59) MAOAGAAACHEMGAMSI
SCHEMBL23335092 0.88 MAOA (0.61) MAOAGAAACHEMGAMSI
SCHEMBL23302731 0.87 MAOA (0.60) MAOAGAAACHEMGAMSI
SCHEMBL23302729 0.87 MAOA (0.60) MAOAGAAACHEMGAMSI
SCHEMBL23302721 0.86 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL31187683 0.86 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302719 0.86 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302836 0.85 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302838 0.85 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL31187682 0.85 MAOA (0.58) 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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