SCHEMBL30767178

SCHEMBL30767178

C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ GSTK1 Q9Y2Q3 1/20 0.43
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ TERT O14746 1/20 0.41
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ NOD1 Q9Y239 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.38
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38
▸ CD40 P25942 1/20 0.38
▸ OPRL1 P41146 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL30829457 0.97 PTGS1 (0.41) PTGS1GSTK1NMT2NMT1TERT
SCHEMBL30062007 0.90 PTGS1 (0.44) PTGS1GSTK1NMT2NMT1TERT
SCHEMBL30880423 0.89 GNAI3 (0.45) TERTGNAI3GNAO1GNAI1NOD1
SCHEMBL3896673 0.88 GNAI3 (0.42) NMT2NMT1TERTGNAI3GNAO1
SCHEMBL5697801 0.88 GNAI3 (0.42) NMT2NMT1TERTGNAI3GNAO1
SCHEMBL847122 0.88 GNAI3 (0.44) TERTGNAI3GNAO1GNAI1NOD1
SCHEMBL847121 0.88 GNAI3 (0.44) TERTGNAI3GNAO1GNAI1NOD1
SCHEMBL30957279 0.88 PTGS1 (0.50) PTGS1GSTK1TERTGNAI3GNAO1
SCHEMBL31676590 0.85 FOLH1 (0.51) NMT2NMT1TERTNOD1SLC6A5
SCHEMBL29569049 0.84 FOLH1 (0.46) NMT2NMT1TERTNOD1SLC6A5

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-117466968-A Synthetic method of multi-pair disulfide bond polypeptide 吉尔生化(上海)有限公司 2024-01-30 — — CN disclosed
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