SCHEMBL30821501

SCHEMBL30821501

OCCNCc1cccc(CCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SIGMAR1 Q99720 3/20 0.50
▸ BCHE P06276 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PDCD1 Q15116 2/20 0.48
▸ CD274 Q9NZQ7 2/20 0.48
▸ VSIR Q9H7M9 1/20 0.47
▸ MAOA P21397 1/20 0.46
▸ MPO P05164 1/20 0.45

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
SCHEMBL10859843 0.89 PDCD1 (0.53) SMN1; SMN2TDP1MEN1KMT2APDCD1
SCHEMBL15283274 0.83 GAA (0.76) GAAMAPTSIGMAR1BCHETDP1
SCHEMBL177039 0.82 MEN1 (0.73) GAAMAPTSMN1; SMN2SIGMAR1TDP1
SCHEMBL19401259 0.82 MEN1 (0.73) GAAMAPTSMN1; SMN2SIGMAR1TDP1
SCHEMBL21049878 0.82 GAA (0.63) GAAMAPTSIGMAR1BCHETDP1
Diethanolamine SCHEMBL5343789 0.81 GAA (0.74) GAAMAPTSMN1; SMN2SIGMAR1BCHE
Ammonia Solution, Strong SCHEMBL15859332 0.81 GAA (0.73) GAAMAPTSIGMAR1BCHETDP1
Hydrochloric Acid SCHEMBL6897315 0.81 SMN1; SMN2 (0.72) GAAMAPTSMN1; SMN2SIGMAR1TDP1
Bromide SCHEMBL11864024 0.81 MEN1 (0.70) GAAMAPTSMN1; SMN2SIGMAR1TDP1
SCHEMBL7023370 0.80 ENPP2 (0.47) SMN1; SMN2TDP1MEN1KMT2APDCD1

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
CN-112424160-B Novel P62 ligand compound and composition for preventing, improving or treating protein conformational diseases comprising the same 奧土择破利悟株式会社 2024-03-08 — — CN claimed
CN-112424160-B Novel P62 ligand compound and composition for preventing, improving or treating protein conformational diseases comprising the same 奧土择破利悟株式会社 2024-03-08 — — CN disclosed
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