SCHEMBL31436239

SCHEMBL31436239

CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.47
KDM1A O60341 1/20 0.43
ATM Q13315 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CHEK2 O96017 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PREP P48147 1/20 0.38
OPRD1 P41143 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 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
SCHEMBL31436233 0.95 HSD17B10 (0.46) PDE8BATMHSD17B10CHEK2SMN1; SMN2
SCHEMBL21946826 0.95 HSD17B10 (0.46) PDE8BATMHSD17B10CHEK2SMN1; SMN2
SCHEMBL29134838 0.89 HSD17B10 (0.39) PDE8BATMHSD17B10HPGDSMN1; SMN2
SCHEMBL1255187 0.87 HSD17B10 (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL5781434 0.87 HSD17B10 (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL23951039 0.87 PDE8B (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL24876030 0.87 PDE8B (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL79878 0.87 HSD17B10 (0.46) PDE8BKDM1AATMHSD17B10HPGD
SCHEMBL18420105 0.86 PDE8B (0.46) PDE8BKDM1AATMHSD17B10CHEK2
SCHEMBL5192786 0.85 PDE8B (0.45) PDE8BKDM1AATMHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743459-A1 BICYCLIC AND MONOCYCLIC TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2026-05-20 EP disclosed
WO-2025014922-A1 BICYCLIC AND MONOCYCLIC TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC (US) 2025-01-16 WO disclosed