SCHEMBL31662475

SCHEMBL31662475

CCn1ncc2cc(C(=O)O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.34
DHODH Q02127 1/20 0.34
PDE4B Q07343 5/20 0.33
MIF P14174 1/20 0.33
MAPK1 P28482 1/20 0.33
MAT2A P31153 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL31662611 0.92 PDE4B (0.36) GCKPDE4BMAPK1MAT2ANOTUM
SCHEMBL31662428 0.90 DHODH (0.37) DHODHMIFMAPK1KDM4E
SCHEMBL31661945 0.83 LRRK2 (0.36) MAPK1KDM4E
SCHEMBL31662165 0.82 IRAK4 (0.37)
SCHEMBL31662770 0.82 CD38 (0.36) PDE4BMAPK1
SCHEMBL31662372 0.81 IRAK4 (0.33) PDE4B
SCHEMBL31661957 0.80 IRAK4 (0.36) PDE4BMAPK1
SCHEMBL31662142 0.80 IRAK4 (0.39) GCKPDE4BMAPK1
SCHEMBL31662412 0.79 DRD4 (0.35) DHODHMIFMAPK1
SCHEMBL31662129 0.79 MAPK1 (0.38) MAPK1

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
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed