SCHEMBL38658481

SCHEMBL38658481

O=C(O)C1CC(O)CCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
GRM5 P41594 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 2/20 0.39
AR P10275 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SERPINE1 P05121 1/20 0.38

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
SCHEMBL7982062 0.87 GAA (0.58) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7981185 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAMAPTGRM5
SCHEMBL7978483 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1LMNAMAPTGRM5
SCHEMBL30660992 0.83 GAA (0.47) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL24190643 0.83 GAA (0.47) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27242800 0.78 SMN1; SMN2 (0.48) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL27242721 0.78 SMN1; SMN2 (0.48) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL38660025 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAMAPTGRM5
SCHEMBL11453714 0.77 SMN1; SMN2 (0.47) GAASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9432301 0.76 NOTUM (0.42) GAASMN1; SMN2ALDH1A1GRM5KMT2A

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-117659017-B TRPML1/2 modulator compound, pharmaceutical composition, preparation method and application thereof 北京华益健康药物研究中心 2026-05-15 CN disclosed