SCHEMBL30688537

SCHEMBL30688537

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.44
▸ FDFT1 P37268 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ MLX Q9UH92 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL29749447 0.92 CTRB1 (0.48) CTRB1FDFT1TSHRNPSR1F2
SCHEMBL9614289 0.89 TACR1 (0.47) CTRB1XIAPMLXTSHRALDH1A1
SCHEMBL8902510 0.89 CTRB1 (0.49) CTRB1TSHRALDH1A1GAANPSR1
SCHEMBL30317756 0.89 CTRB1 (0.49) CTRB1TSHRALDH1A1GAANPSR1
SCHEMBL29413336 0.89 CTRB1 (0.49) CTRB1TSHRALDH1A1GAANPSR1
SCHEMBL31501508 0.88 CTRB1 (0.46) CTRB1FDFT1TSHRNPSR1F2
SCHEMBL29777655 0.88 CTRB1 (0.46) CTRB1FDFT1TSHRNPSR1F2
SCHEMBL8902887 0.85 CTRB1 (0.46) CTRB1TSHRALDH1A1GAANPSR1
SCHEMBL29413333 0.84 CTRB1 (0.46) CTRB1TSHRALDH1A1GAANPSR1
SCHEMBL25404023 0.83 CTRB1 (0.48) CTRB1TSHRALDH1A1GAANPSR1

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-111164092-B Process for producing peptide compound 日产化学株式会社 2023-12-26 — — CN disclosed
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