SCHEMBL31184973

SCHEMBL31184973

COc1cc(NC(=O)C2CCC(N3Cc4c(OC)cccc4C3=O)CC2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TYK2 P29597 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CHKA P35790 1/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ HTR1A P08908 1/20 0.41

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
SCHEMBL31184972 0.94 POLB (0.44) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184861 0.93 POLB (0.43) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184573 0.93 MALT1 (0.46) POLBKMT2ATYK2ALDH1A1SMN1; SMN2
SCHEMBL31184954 0.92 CHKA (0.43) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184345 0.92 POLB (0.42) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184820 0.92 MAPK1 (0.49) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184817 0.91 MAPT (0.43) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184700 0.91 POLB (0.42) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184827 0.90 GSPT1 (0.42) POLBTSHRKMT2ATYK2ALDH1A1
SCHEMBL31184843 0.90 POLB (0.41) POLBTSHRKMT2ATYK2ALDH1A1

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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