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SCHEMBL29836357

SCHEMBL29836357

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(=O)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
▸ F2 P00734 2/20 0.59
▸ TFPI P10646 1/20 0.56
▸ GLP1R P43220 6/20 0.53
▸ IL23R Q5VWK5 2/20 0.50
▸ BACE1 P56817 1/20 0.49

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
SCHEMBL29836420 0.97 TFPI (0.59) F2TFPIGLP1RIL23R
SCHEMBL30168761 0.97 F2 (0.58) F2TFPIGLP1RIL23RBACE1
SCHEMBL29836514 0.95 TFPI (0.64) F2TFPIGLP1RIL23R
SCHEMBL30168703 0.94 TFPI (0.59) F2TFPIGLP1R
SCHEMBL29836289 0.93 TFPI (0.58) F2TFPIGLP1RIL23R
SCHEMBL29836469 0.92 F2 (0.56) F2TFPIIL23R
SCHEMBL30168765 0.92 TFPI (0.63) F2TFPIGLP1RIL23R
SCHEMBL30844087 0.91 TFPI (0.57) F2TFPIGLP1RIL23R
SCHEMBL29836399 0.91 TFPI (0.59) F2TFPIGLP1RIL23R
SCHEMBL30168728 0.90 TFPI (0.58) F2TFPIGLP1R

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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