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Sugi Predict / Compounds / SCHEMBL30437482

SCHEMBL30437482

SCHEMBL30437482

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 8/20 0.58
▸ TFPI P10646 1/20 0.58
▸ VIPR1 P32241 3/20 0.58
▸ VIPR2 P41587 5/20 0.55
▸ ECE1 P42892 1/20 0.54
▸ GLP1R P43220 1/20 0.54
▸ MUS81 Q96NY9 1/20 0.54

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
SCHEMBL30063022 0.94 TFPI (0.64) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30176419 0.91 VIPR1 (0.68) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL31167348 0.91 TFPI (0.60) IL23RTFPIVIPR1VIPR2ECE1
SCHEMBL29742337 0.90 TFPI (0.58) IL23RTFPIVIPR1VIPR2ECE1
SCHEMBL30906449 0.90 VIPR1 (0.61) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30712944 0.90 TFPI (0.68) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30906551 0.90 VIPR1 (0.62) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL29634728 0.90 TFPI (0.61) IL23RTFPIVIPR1VIPR2
SCHEMBL30906346 0.89 TFPI (0.59) IL23RTFPIVIPR1VIPR2ECE1
SCHEMBL30577891 0.89 IL23R (0.63) IL23RTFPI

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-116103323-B Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2024-10-22 — — CN disclosed
CN-116103323-A Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof 安徽中医药大学 2023-05-12 — — CN disclosed
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