SCHEMBL31184536

SCHEMBL31184536

COc1cc(NC(=O)C2CCC(NNC(=O)OC(C)(C)C)CC2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL28509012 0.89 POLB (0.50) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL28509010 0.89 POLB (0.50) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL31184543 0.89 POLB (0.50) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL31184662 0.86 POLB (0.47) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL31185020 0.86 POLB (0.47) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL31185017 0.82 POLB (0.56) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL31184928 0.81 POLB (0.57) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13989144 0.78 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL31184837 0.77 POLB (0.58) POLBALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL31184530 0.77 POLB (0.58) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4

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
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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