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Sugi Predict / Compounds / SCHEMBL30437367

SCHEMBL30437367

SCHEMBL30437367

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CN)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ RXFP1 Q9HBX9 2/20 0.49
▸ OPRL1 P41146 3/20 0.47
▸ RAMP3 O60896 5/20 0.47
▸ CALCR P30988 5/20 0.47
▸ VIPR1 P32241 1/20 0.46
▸ VIPR2 P41587 1/20 0.46
▸ GLP1R P43220 1/20 0.46

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
SCHEMBL30432423 0.91 TFPI (0.61) TFPIRXFP1VIPR1VIPR2GLP1R
SCHEMBL30432294 0.87 TFPI (0.53) TFPIRXFP1OPRL1
SCHEMBL29625292 0.87 OPRL1 (0.50) TFPIRXFP1OPRL1RAMP3CALCR
SCHEMBL29625291 0.86 OPRL1 (0.50) TFPIOPRL1RAMP3CALCRVIPR1
SCHEMBL16507959 0.86 RXFP1 (0.59) TFPIRXFP1RAMP3CALCRGLP1R
SCHEMBL30974358 0.86 TFPI (0.57) TFPIRXFP1VIPR1VIPR2
SCHEMBL30432333 0.85 TFPI (0.58) TFPIRXFP1VIPR1VIPR2GLP1R
SCHEMBL30942619 0.85 IL23R (0.48) TFPIRXFP1
SCHEMBL31462925 0.84 VIPR1 (0.51) TFPIOPRL1VIPR1VIPR2GLP1R
SCHEMBL30648442 0.84 GRIN2D (0.50) RXFP1VIPR1VIPR2

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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