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Sugi Predict / Compounds / SCHEMBL30844087

SCHEMBL30844087

SCHEMBL30844087

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.57
▸ GLP1R P43220 6/20 0.56
▸ VIPR1 P32241 2/20 0.54
▸ F2 P00734 2/20 0.54
▸ VIPR2 P41587 1/20 0.53
▸ OPRL1 P41146 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.53

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 0.94 TFPI (0.59) TFPIGLP1RVIPR1F2IL23R
SCHEMBL29836289 0.93 TFPI (0.58) TFPIGLP1RVIPR1F2VIPR2
SCHEMBL29836357 0.91 F2 (0.59) TFPIGLP1RF2IL23R
SCHEMBL30168703 0.91 TFPI (0.59) TFPIGLP1RVIPR1F2
SCHEMBL30168728 0.90 TFPI (0.58) TFPIGLP1RVIPR1F2VIPR2
SCHEMBL30431777 0.90 TFPI (0.64) TFPIGLP1RVIPR1VIPR2
SCHEMBL29836469 0.89 F2 (0.56) TFPIF2IL23R
SCHEMBL30168761 0.88 F2 (0.58) TFPIGLP1RF2IL23R
SCHEMBL29531101 0.88 TFPI (0.69) TFPIGLP1RVIPR1VIPR2
SCHEMBL30974168 0.88 TFPI (0.58) TFPIGLP1RVIPR1VIPR2IL23R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820469-A anti-Slc 17a2 monoclonal antibody and application thereof 中国人民解放军空军军医大学 2024-04-05 — — CN claimed
CN-117820469-A anti-Slc 17a2 monoclonal antibody and application thereof 中国人民解放军空军军医大学 2024-04-05 — — CN disclosed
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