SCHEMBL12445601

SCHEMBL12445601

CCC[C@@H](CC)COc1ccc(C(NC=O)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 3/20 0.40
▸ GPR88 Q9GZN0 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL14381016 0.85 LMNA (0.50) GAAHTTLMNABCHETYR
SCHEMBL6873511 0.73 GPR88 (0.57) GAAHTTLMNAGPR88KDM4E
SCHEMBL7025851 0.73 ALDH1A1 (0.55) KMT2AALDH1A1MEN1KDM4ERAB9A
SCHEMBL13464271 0.72 CYP2C9 (0.47) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL16234064 0.70 LMNA (0.48) GAAHTTLMNABCHETYR
SCHEMBL13035855 0.69 LMNA (0.72) HTTLMNAKMT2AALDH1A1POLB
SCHEMBL5023224 0.68 NPC1 (0.42) HTTLMNAKMT2AALDH1A1MEN1
SCHEMBL13034922 0.67 LMNA (0.56) GAAHTTLMNAKMT2AALDH1A1
SCHEMBL30450626 0.67 HTT (0.46) GAAHTTLMNAKMT2AALDH1A1
SCHEMBL7040253 0.66 HTT (0.47) GAAHTTACHEKMT2AALDH1A1

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-2089425-B1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND LTD (IE) 2011-08-17 — — EP disclosed
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