SCHEMBL31508607

SCHEMBL31508607

[2H]C([2H])([2H])C(=O)N[C@@H](CSCCC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX15 P16050 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NOS2 P35228 3/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ FOLH1 Q04609 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
SCHEMBL20213764 0.89 MAPT (0.49) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL20213762 0.89 MAPT (0.49) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL31508459 0.79 ALDH1A1 (0.37) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL16097664 0.76 MAPT (0.51) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL11553457 0.76 MAPT (0.51) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL12997194 0.75 MAPT (0.44) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL13858556 0.72 MAPT (0.48) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL28756602 0.72 MAPT (0.48) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL19469426 0.72 BHMT (0.51) MAPTALDH1A1ALOX15BLMKDM4E
SCHEMBL21144523 0.72 MAPT (0.52) MAPTALDH1A1ALOX15BLMKDM4E

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-120009437-A Method for simultaneously measuring multiple volatile organic compounds metabolites in urine 中国疾病预防控制中心环境与健康相关产品安全所 2025-05-16 — — CN disclosed
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