SCHEMBL31184569

SCHEMBL31184569

COc1cc(NC(=O)C2CCC(N3Cc4c(C)cc(C(=O)O)cc4NC3=O)CC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 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
SCHEMBL31184997 0.97 HSD17B10 (0.40) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31185031 0.93 HSD17B10 (0.43) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184787 0.92 POLB (0.40) ACHEBACE1POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31185022 0.90 CHKA (0.40) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184594 0.90 POLB (0.42) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184492 0.89 CHKA (0.42) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184365 0.89 POLB (0.42) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184766 0.87 POLB (0.41) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184552 0.87 POLB (0.41) ACHEBACE1POLBALDH1A1SMN1; SMN2
SCHEMBL31184406 0.87 POLB (0.43) ACHEBACE1POLBALDH1A1SMN1; SMN2

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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