SCHEMBL31184884

SCHEMBL31184884

COc1cc(NC(=O)C2CCC(N3Cc4c(cccc4OC)NC3=O)CC2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CHKA P35790 2/20 0.40
▸ CHKB Q9Y259 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2C P28335 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
SCHEMBL31184406 0.94 POLB (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184899 0.94 MALT1 (0.45) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184995 0.93 MALT1 (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184551 0.92 TP53 (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184597 0.92 POLB (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184531 0.91 POLB (0.40) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184622 0.90 MALT1 (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184397 0.89 POLB (0.45) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184791 0.88 ACHE (0.44) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31185043 0.88 POLB (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1

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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