SCHEMBL31662331

SCHEMBL31662331

Cc1ncc2cc(C(=O)O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cn12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
MIF P14174 1/20 0.36
KAT2B Q92831 2/20 0.35
GCK P35557 5/20 0.34
GSK3B P49841 1/20 0.34
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
CD38 P28907 1/20 0.32
MAPK14 Q16539 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
SCHEMBL31661952 0.92 RET (0.34) KAT2BGSK3BBAZ2BCD38
SCHEMBL31662544 0.91 KAT2B (0.35) KAT2BGSK3BBAZ2BCD38
SCHEMBL31662332 0.85 MIF (0.34) DHODHMIFKAT2BCPT2CPT1A
SCHEMBL31662428 0.78 DHODH (0.37) DHODHMIFCD38MAPK14
SCHEMBL31662538 0.77 OPRK1 (0.33) KAT2BGCKCD38
SCHEMBL31662205 0.77 CYP11B2 (0.34)
SCHEMBL31662475 0.76 GCK (0.34) DHODHMIFGCK
SCHEMBL31662207 0.74 SMN1; SMN2 (0.34)
SCHEMBL31662446 0.73 ALDH1A1 (0.35) DHODHMIF
SCHEMBL31662578 0.72 CD38 (0.37) DHODHGCKCD38MAPK14

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