SCHEMBL31184749

SCHEMBL31184749

CCCCOC(=O)N1CC(Oc2ccc3c(c2C)CN(C2CCC(C(=O)Nc4ccc(C)c(OC)c4)CC2)C(=O)N3)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TP53 P04637 3/20 0.36
▸ HTT P42858 4/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CHKA P35790 1/20 0.33
▸ CHKB Q9Y259 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL31185036 0.91 POLB (0.41) POLBMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184934 0.88 POLB (0.42) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184727 0.84 POLB (0.46) POLBMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184968 0.84 POLB (0.36) POLBMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184397 0.84 POLB (0.45) POLBMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184853 0.80 POLB (0.41) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184534 0.80 POLB (0.39) POLBMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184653 0.80 POLB (0.42) POLBMAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL31184940 0.79 CHKA (0.42) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31184472 0.79 POLB (0.41) POLBMAPTALDH1A1SMN1; SMN2CYP1A2

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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