Sugi Predict

Sugi Predict / Compounds / SCHEMBL29836420

SCHEMBL29836420

SCHEMBL29836420

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ F2 P00734 2/20 0.56
▸ GLP1R P43220 6/20 0.56
▸ VIPR1 P32241 1/20 0.50
▸ IL23R Q5VWK5 1/20 0.50

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
SCHEMBL29836357 0.97 F2 (0.59) TFPIF2GLP1RIL23R
SCHEMBL30168703 0.97 TFPI (0.59) TFPIF2GLP1RVIPR1
SCHEMBL29836289 0.96 TFPI (0.58) TFPIF2GLP1RVIPR1IL23R
SCHEMBL29836469 0.94 F2 (0.56) TFPIF2IL23R
SCHEMBL30168761 0.94 F2 (0.58) TFPIF2GLP1RIL23R
SCHEMBL30844087 0.94 TFPI (0.57) TFPIF2GLP1RVIPR1IL23R
SCHEMBL29836514 0.93 TFPI (0.64) TFPIF2GLP1RVIPR1IL23R
SCHEMBL30168728 0.93 TFPI (0.58) TFPIF2GLP1RVIPR1
SCHEMBL29836287 0.92 TFPI (0.62) TFPIF2GLP1RVIPR1IL23R
SCHEMBL30168717 0.91 F2 (0.55) TFPIF2IL23R

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-11434484-B2 Three-component CRISPR/Cas complex system and uses thereof THE JACKSON LABORATORY (US) 2022-09-06 — — US disclosed
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