SCHEMBL31185043

SCHEMBL31185043

CCc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4NC3=O)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 3/20 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
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MALT1 Q9UDY8 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CHKA P35790 1/20 0.38
▸ CHKB Q9Y259 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL31184910 0.92 TRPV1 (0.40) POLBALDH1A1SMN1; SMN2MAPTTRPV1
SCHEMBL31184406 0.91 POLB (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31185102 0.91 POLB (0.44) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184995 0.90 MALT1 (0.41) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184884 0.88 POLB (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184724 0.87 TP53 (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31185080 0.87 MALT1 (0.53) ALDH1A1SMN1; SMN2MALT1HPGD
SCHEMBL31184830 0.86 SMN1; SMN2 (0.41) POLBALDH1A1SMN1; SMN2MAPTTRPV1
SCHEMBL31184741 0.86 MAPT (0.43) POLBALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL31184899 0.85 MALT1 (0.45) 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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