SCHEMBL31187682

SCHEMBL31187682

COc1cc(CCC(=O)O[C@H]2Cc3cc4ccc(=O)oc4cc3OC2(C)C)ccc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.58
▸ GAA P10253 2/20 0.49
▸ ACHE P22303 2/20 0.49
▸ MGAM O43451 1/20 0.49
▸ SI P14410 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 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
SCHEMBL23302838 1.00 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302836 1.00 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302729 0.94 MAOA (0.60) MAOAGAAACHEMGAMSI
SCHEMBL23302731 0.94 MAOA (0.60) MAOAGAAACHEMGAMSI
SCHEMBL31187683 0.90 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302721 0.90 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL23302719 0.90 MAOA (0.58) MAOAGAAACHEMGAMSI
SCHEMBL31046697 0.85 MAOA (0.59) MAOAGAAACHEMGAMSI
SCHEMBL31046690 0.85 MAOA (0.59) MAOAGAAACHEMGAMSI
SCHEMBL23335092 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056573-B1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS PRG S&TECH INC (KR) 2024-11-06 — — EP claimed
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