SCHEMBL31184458

SCHEMBL31184458

C=Cc1cc(C)c2c(c1)C(=O)N(C1CCC(C(=O)Nc3ccc(C)c(OC)c3)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 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
▸ CHKA P35790 1/20 0.39
▸ CHKB Q9Y259 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL31184607 0.92 POLB (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184788 0.88 POLB (0.44) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184894 0.87 POLB (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184585 0.87 CHKA (0.44) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184633 0.87 POLB (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184647 0.87 POLB (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31185002 0.86 POLB (0.40) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184906 0.86 ACHE (0.43) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184629 0.85 POLB (0.42) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31184972 0.85 POLB (0.44) POLBSMN1; SMN2ALDH1A1CYP1A2CYP3A4

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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