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SCHEMBL30862325

SCHEMBL30862325

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ GLP1R P43220 4/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ BACE1 P56817 6/20 0.51
▸ BACE2 Q9Y5Z0 2/20 0.51
▸ CTSD P07339 1/20 0.51

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
SCHEMBL30974266 0.89 TFPI (0.55) TFPIBACE1BACE2CTSD
SCHEMBL29499676 0.87 BACE1 (0.59) TFPIGLP1RBACE1
SCHEMBL10753782 0.87 TFPI (0.51) TFPIGLP1RBACE1CTSD
SCHEMBL10753768 0.87 TFPI (0.51) TFPIGLP1RBACE1CTSD
SCHEMBL30262055 0.86 TFPI (0.62) TFPIGLP1RKEAP1
SCHEMBL29836357 0.86 F2 (0.59) TFPIGLP1RBACE1
SCHEMBL29419011 0.85 TFPI (0.57) TFPIKEAP1
SCHEMBL30262213 0.85 OPRM1 (0.58) TFPIBACE1BACE2CTSD
SCHEMBL30262125 0.85 TFPI (0.57) TFPIGLP1RBACE1BACE2
SCHEMBL31031450 0.85 FURIN (0.48) TFPIBACE1BACE2CTSD

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
US-20240124552-A1 METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS BAYLOR COLLEGE OF MEDICINE 2024-04-18 — — US disclosed
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