SCHEMBL31184629

SCHEMBL31184629

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cc(CO)cc4C3=O)CC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 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
SCHEMBL31184788 0.88 POLB (0.44) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184647 0.88 POLB (0.43) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184585 0.88 CHKA (0.44) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184633 0.88 POLB (0.43) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184906 0.87 ACHE (0.43) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184612 0.86 ALDH1A1 (0.38) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184766 0.86 POLB (0.41) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184607 0.86 POLB (0.42) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184894 0.86 POLB (0.42) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184972 0.85 POLB (0.44) 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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