SCHEMBL31169130

SCHEMBL31169130

CCOc1cc([C@@H](CS(C)(=O)=O)N[C@@H](C)c2ccccc2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 18/20 0.58
▸ PDE4A P27815 9/20 0.58
▸ PDE4C Q08493 9/20 0.58
▸ PDE4D Q08499 9/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL15194245 1.00 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15202855 1.00 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15194423 1.00 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL31380927 0.90 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL15202689 0.88 SMN1; SMN2 (0.51) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL18920444 0.82 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL5552819 0.82 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL19490721 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL18281288 0.81 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL18281290 0.81 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834155-A Preparation method of apremilast 江苏知原药业股份有限公司 2024-10-25 — — CN disclosed
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