SCHEMBL31184997

SCHEMBL31184997

COC(=O)c1cc(C)c2c(c1)NC(=O)N(C1CCC(C(=O)Nc3ccc(C)c(OC)c3)CC1)C2.COc1cc(NC(=O)C2CCC(N3Cc4c(C)cc(C(=O)O)cc4NC3=O)CC2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ CHKA P35790 1/20 0.37
▸ CHKB Q9Y259 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36

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
SCHEMBL31184569 0.97 ACHE (0.42) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31185031 0.97 HSD17B10 (0.43) HSD17B10ACHEBACE1POLBALDH1A1
SCHEMBL31184787 0.89 POLB (0.40) ACHEBACE1POLBALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31185022 0.87 CHKA (0.40) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184594 0.87 POLB (0.42) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184492 0.86 CHKA (0.42) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184365 0.86 POLB (0.42) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184766 0.84 POLB (0.41) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184552 0.84 POLB (0.41) ACHEBACE1POLBALDH1A1CYP1A2
SCHEMBL31184406 0.84 POLB (0.43) ACHEBACE1POLBALDH1A1CYP1A2

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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