SCHEMBL30096018

SCHEMBL30096018

CCCCOCC[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3CCOCCCC)c3ccc([nH]3)c(-c3cccc[n+]3CCOCCCC)c3nc(c(-c4cccc[n+]4CCOCCCC)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.41
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ GABRA4 P48169 1/20 0.32
▸ GABRE P78334 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ GABRG1 Q8N1C3 1/20 0.32

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
SCHEMBL16934676 1.00 TERT (0.41) TERTBCHEACHEALDH1A1TSHR
SCHEMBL29935503 0.99 TERT (0.40) TERTBCHEACHEALDH1A1TSHR
SCHEMBL452379 0.88 TERT (0.46) TERTALDH1A1HPGDKDM4ELMNA
SCHEMBL452116 0.85 NPC1 (0.45) TERTALDH1A1HPGDKDM4ELMNA
SCHEMBL448359 0.85 NPC1 (0.45) TERTALDH1A1HPGDKDM4ELMNA
SCHEMBL449176 0.85 NPC1 (0.45) TERTALDH1A1HPGDKDM4ELMNA
SCHEMBL451943 0.85 NPC1 (0.45) TERTALDH1A1HPGDKDM4ELMNA
SCHEMBL30096016 0.85 NPC1 (0.45) TERTALDH1A1HPGDKDM4ELMNA
SCHEMBL3521676 0.85 TERT (0.42) TERT
SCHEMBL450264 0.85 TERT (0.48) TERT

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
EP-4308107-A1 MNTBAP AND M(III)N-SUBSTITUTED PYRIDYLPORPHYRINS(MNPS)FOR USE IN REVERSING SEPSIS-INDUCED MICROGLIAL CELLS ALTERATIONS AND/OR FOR TREATING SEPSIS OR SEPSIS-ASSOCIATED ENCEPHALOPATHY INSTITUT PASTEUR (FR) 2024-01-24 — — EP disclosed
WO-2022195100-A1 MNTBAP AND M(III)N-SUBSTITUTED PYRIDYLPORPHYRINS(MNPS)FOR USE IN REVERSING SEPSIS-INDUCED MICROGLIAL CELLS ALTERATIONS AND/OR FOR TREATING SEPSIS OR SEPSIS-ASSOCIATED ENCEPHALOPATHY INSTITUT PASTEUR (FR) 2022-09-22 — — WO disclosed
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