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Sugi Predict / Compounds / SCHEMBL30437371

SCHEMBL30437371

SCHEMBL30437371

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

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.62
▸ TFPI P10646 1/20 0.61
▸ VIPR1 P32241 4/20 0.58
▸ BACE1 P56817 1/20 0.58
▸ VIPR2 P41587 4/20 0.57
▸ CCKBR P32239 1/20 0.57
▸ GLP1R P43220 1/20 0.57
▸ CRHR1 P34998 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56

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
SCHEMBL30436623 0.92 VIPR1 (0.63) CALCRTFPIVIPR1BACE1VIPR2
SCHEMBL29728670 0.91 BACE1 (0.61) CALCRTFPIBACE1
SCHEMBL30483435 0.91 BACE1 (0.57) CALCRTFPIBACE1
SCHEMBL29523535 0.91 VIPR1 (0.69) CALCRTFPIVIPR1VIPR2CCKBR
SCHEMBL30658205 0.90 CALCR (0.62) CALCRTFPIVIPR1VIPR2CCKBR
SCHEMBL31182868 0.90 VIPR2 (0.61) CALCRTFPIVIPR1BACE1VIPR2
SCHEMBL31575683 0.90 VIPR1 (0.61) CALCRVIPR1BACE1VIPR2CCKBR
SCHEMBL30567786 0.89 TFPI (0.58) CALCRTFPIVIPR1BACE1VIPR2
SCHEMBL30387150 0.89 VIPR2 (0.62) TFPIVIPR1BACE1VIPR2GLP1R
SCHEMBL30432766 0.88 TFPI (0.63) CALCRTFPIVIPR1VIPR2GLP1R

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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