Sugi Predict

Sugi Predict / Compounds / SCHEMBL30432209

SCHEMBL30432209

SCHEMBL30432209

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ GLP1R P43220 3/20 0.53
▸ GCGR P47871 1/20 0.53
▸ GIPR P48546 1/20 0.53
▸ BACE1 P56817 1/20 0.51
▸ OPRL1 P41146 2/20 0.50

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
SCHEMBL29708271 0.88 TFPI (0.56) TFPI
SCHEMBL29777709 0.86 PTH1R (0.47) TFPIGLP1RGCGRGIPRBACE1
SCHEMBL29777844 0.86 PTH1R (0.47) TFPIGLP1RGCGRGIPRBACE1
SCHEMBL31516071 0.86 TFPI (0.54) TFPI
SCHEMBL30522174 0.85 CCKBR (0.58) —
SCHEMBL29777846 0.85 RXFP1 (0.47) TFPIGLP1RGCGRGIPRBACE1
SCHEMBL30662329 0.85 TFPI (0.61) TFPIBACE1OPRL1
SCHEMBL29733684 0.85 TFPI (0.60) TFPIBACE1OPRL1
SCHEMBL31480032 0.85 OPRL1 (0.56) TFPIOPRL1
SCHEMBL29777798 0.85 PTH1R (0.47) TFPIGLP1RGCGRGIPRBACE1

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
US-20240342111-A1 ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL UNIV SOUTH CAROLINA (US) 2024-10-17 — — US disclosed
US-20230201133-A1 Isomer-Specific Neuroprotective Effect of Natural Resveratrol UNIVERSITY OF SOUTH CAROLINA (US) 2023-06-29 — — US disclosed
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