SCHEMBL15083075

SCHEMBL15083075

C=CCCC(=O)N[C@@H](CSSC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.40
HDAC2 Q92769 1/20 0.39
GNPAT O15228 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
FNTA P49354 4/20 0.34
FNTB P49356 4/20 0.34
PGGT1B P53609 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
SCHEMBL23056622 1.00 NOD1 (0.40) NOD1HDAC2GNPATALDH1A1MAPT
SCHEMBL16289076 0.85 ALDH1A1 (0.38) NOD1HDAC2GNPATALDH1A1MAPT
SCHEMBL15083216 0.85 ALDH1A1 (0.38) NOD1HDAC2GNPATALDH1A1MAPT
SCHEMBL7081466 0.82 FNTA (0.50) HDAC2ALDH1A1FNTAFNTBPGGT1B
SCHEMBL7081469 0.82 FNTA (0.50) HDAC2ALDH1A1FNTAFNTBPGGT1B
SCHEMBL15083196 0.81 NOD1 (0.46) NOD1HDAC2GNPATSLC6A5FNTA
SCHEMBL16288853 0.81 NOD1 (0.46) NOD1HDAC2GNPATSLC6A5FNTA
SCHEMBL15083156 0.79
SCHEMBL16288400 0.79
SCHEMBL15083125 0.79 EPHX2 (0.39) NOD1HDAC2GNPATALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 US disclosed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 EP disclosed
WO-2013100132-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD 中外製薬株式会社 (JP) 2013-07-04 WO disclosed