SCHEMBL29405285

SCHEMBL29405285

CCCC1CC(=O)N(C(=O)OC(C)(C)C)C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
RIPK1 Q13546 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
KLK7 P49862 6/20 0.34
KLK5 Q9Y337 5/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
NR1H2 P55055 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL27084526 0.92 KLK7 (0.36) ATMCHRM2CHRM1CHRM3ALDH1A1
SCHEMBL29405280 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM3ALDH1A1KMT2A
SCHEMBL19420020 0.79 CHRM2 (0.46) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL22096750 0.79 CHRM2 (0.46) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL23186706 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3GLAUSP2
SCHEMBL29222219 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3GLAUSP2
SCHEMBL26198255 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3GLAUSP2
SCHEMBL22990239 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3GLAUSP2
SCHEMBL18593025 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3GLAUSP2
SCHEMBL3738817 0.75 CHRM2 (0.39) CHRM2CHRM1CHRM3GLAUSP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199905-A1 METHODS OF NEUROPROTECTION AND USES THEREOF Oculotherapy, LLC (US) 2023-06-28 EP disclosed
WO-2023028490-A1 METHODS OF TREATING PAIN AND USES THEREOF OCULOTHERAPY, LLC (US) 2023-03-02 WO disclosed
WO-2022040622-A1 METHODS OF NEUROPROTECTION AND USES THEREOF OCULOTHERAPY, LLC (US) 2022-02-24 WO disclosed