SCHEMBL31184844

SCHEMBL31184844

CCCCOC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccc(C)c(OC)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ FAAH O00519 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
SCHEMBL31185020 0.82 POLB (0.47) SMN1; SMN2RAB9ANPC1CYP1A2HPGD
SCHEMBL31184662 0.82 POLB (0.47) SMN1; SMN2RAB9ANPC1CYP1A2HPGD
SCHEMBL31184474 0.80 ALDH1A1 (0.48) SMN1; SMN2RAB9ANPC1HPGDHTT
SCHEMBL31185017 0.78 POLB (0.56) SMN1; SMN2CYP1A2HPGDCYP2C19GAA
SCHEMBL31184543 0.76 POLB (0.50) SMN1; SMN2RAB9ANPC1CYP1A2HPGD
SCHEMBL28509012 0.76 POLB (0.50) SMN1; SMN2RAB9ANPC1CYP1A2HPGD
SCHEMBL28509010 0.76 POLB (0.50) SMN1; SMN2RAB9ANPC1CYP1A2HPGD
SCHEMBL31184928 0.76 POLB (0.57) SMN1; SMN2CYP1A2HPGDCYP2C19MEN1
SCHEMBL31184635 0.75 POLB (0.53) SMN1; SMN2CYP1A2HPGDCYP2C19GAA
SCHEMBL31184396 0.75 POLB (0.53) SMN1; SMN2CYP1A2HPGDCYP2C19GAA

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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