SCHEMBL28445623

SCHEMBL28445623

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL28452204 0.85 NOD1 (0.35) HDAC2
SCHEMBL17164976 0.83 HDAC2 (0.39) HDAC2
SCHEMBL17164977 0.83 HDAC2 (0.39) HDAC2
SCHEMBL18735087 0.78 HDAC2 (0.36) HDAC2
SCHEMBL18734801 0.78 HDAC2 (0.36) HDAC2
SCHEMBL18720196 0.78 ITGB1 (0.41) HDAC2
SCHEMBL18735203 0.74 ITGB1 (0.35) HDAC2
SCHEMBL18735088 0.72 HDAC2 (0.36) HDAC2
SCHEMBL14693834 0.70 ITGB1 (0.46) HDAC2
SCHEMBL14693833 0.70 ITGB1 (0.46) HDAC2

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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