SCHEMBL31085684

SCHEMBL31085684

CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
CTSL P07711 1/20 0.43
RORC P51449 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SYK P43405 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
NAMPT P43490 1/20 0.40
PARP1 P09874 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL31085683 1.00 PDE4B (0.44) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670198 0.90 PDE4B (0.41) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL15082017 0.90 PDE4B (0.41) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL9183683 0.90 SMN1; SMN2 (0.48) PDE4BCTSLHTTSMN1; SMN2NPC1
SCHEMBL17105494 0.90 CTSL (0.44) PDE4BCTSLHTTSMN1; SMN2NPC1
SCHEMBL14346460 0.88 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670238 0.88 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670241 0.88 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL2670278 0.88 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2
SCHEMBL15063097 0.88 PDE4B (0.45) PDE4BCTSLRORCHTTSMN1; SMN2

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-4688792-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2026-02-11 EP disclosed
WO-2024206766-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2024-10-03 WO disclosed