SCHEMBL8701139

SCHEMBL8701139

N[C@@H](CO)C(=O)Oc1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GRIK1 P39086 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33
▸ GRIK3 Q13003 1/20 0.33
▸ GRIK4 Q16099 1/20 0.33
▸ GRIK5 Q16478 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27630399 0.80 ALDH1A1 (0.40) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL1133747 0.80 ALDH1A1 (0.40) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL27651626 0.77 ALDH1A1 (0.41) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL13370728 0.76 ALDH1A1 (0.41) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL5086027 0.73 — —
SCHEMBL27478065 0.73 ALDH1A1 (0.43) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL27852103 0.73 ALDH1A1 (0.43) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL4755861 0.73 ALDH1A1 (0.38) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL27585045 0.72 PKM (0.39) PKMALDH1A1L3MBTL1HTTMAPT
SCHEMBL27521615 0.72 ALDH1A1 (0.40) PKMALDH1A1L3MBTL1HTTMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 — — US disclosed
CN-1121713-A serine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-05-01 — — CN disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 — — EP disclosed
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