SCHEMBL28452204

SCHEMBL28452204

CCC(=O)N[C@@H](CSC(=O)CCC=[SH]C[C@H](NC(=O)CC)C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ SLC6A5 Q9Y345 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FAAH O00519 2/20 0.30

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
SCHEMBL28445623 0.85 HDAC2 (0.36) HDAC2
SCHEMBL17164973 0.82 NOD1 (0.45) NOD1EPHX2HDAC2
SCHEMBL17164972 0.82 NOD1 (0.45) NOD1EPHX2HDAC2
SCHEMBL17164986 0.78 GNPAT (0.43) NOD1EPHX2
SCHEMBL17164985 0.78 GNPAT (0.43) NOD1EPHX2
SCHEMBL18734973 0.74 NOD1 (0.41) NOD1EPHX2
SCHEMBL18720196 0.74 ITGB1 (0.41) NOD1HDAC2
SCHEMBL18735107 0.72 MAPT (0.44) NOD1ALDH1A1MAPT
SCHEMBL17164991 0.69 GNPAT (0.50) NOD1EPHX2
SCHEMBL17164992 0.69 GNPAT (0.50) NOD1EPHX2

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-106458957-B Novel cell permeable succinic acid compounds 爱博利瓦有限公司 2020-08-18 — — CN disclosed
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