SCHEMBL25399653

SCHEMBL25399653

O=C(CCCl)OC1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
PDE4D Q08499 14/20 0.34
PDE4A P27815 9/20 0.34
PDE4B Q07343 9/20 0.34
PDE4C Q08493 9/20 0.34
CTSL P07711 1/20 0.33
ATF4 P18848 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17517935 0.82 CTSL (0.36) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL29830733 0.82 PDE4D (0.45) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL30720976 0.81 NAAA (0.37) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL8230175 0.78 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL13351589 0.78 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL13351557 0.78 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL23049716 0.78 CTSL (0.34) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL24186291 0.78 CTSL (0.34) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL12475327 0.78 CTSL (0.34) PDE4DPDE4APDE4BPDE4CCTSL
SCHEMBL23049719 0.78 CTSL (0.34) PDE4DPDE4APDE4BPDE4CCTSL

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
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed