SCHEMBL31124153

SCHEMBL31124153

Cc1cc(CCC=O)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RECQL P46063 2/20 0.41
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 3/20 0.35
EGFR P00533 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GABRA5 P31644 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
GABRA1 P14867 1/20 0.33
POLB P06746 2/20 0.33
PPARA Q07869 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAPDH P04406 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
SCHEMBL23712165 0.81 MAPT (0.38) MAPTRECQLEPHX2ALDH1A1EGFR
SCHEMBL27365792 0.81 MAPT (0.35) MAPTRECQLEPHX2SMN1; SMN2PPARA
SCHEMBL1823261 0.80
SCHEMBL27499888 0.77 MAPT (0.39) MAPTRECQLEPHX2ALDH1A1EGFR
SCHEMBL3750450 0.76 EPHX2 (0.44) MAPTRECQLEPHX2ALDH1A1EGFR
SCHEMBL7356165 0.75
SCHEMBL3718965 0.74
Hydrochloric Acid SCHEMBL29173896 0.74 MAPT (0.41) MAPTRECQLEPHX2ALDH1A1EGFR
SCHEMBL21894061 0.74
SCHEMBL12825220 0.74

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-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO claimed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO disclosed