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Sugi Predict / Compounds / SCHEMBL30432406

SCHEMBL30432406

SCHEMBL30432406

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.61
▸ OPRM1 P35372 4/20 0.57
▸ OPRD1 P41143 4/20 0.57
▸ OPRK1 P41145 4/20 0.57
▸ GLP1R P43220 3/20 0.56
▸ CALCR P30988 4/20 0.55
▸ VIPR1 P32241 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ BACE2 Q9Y5Z0 1/20 0.55

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
SCHEMBL30874390 0.92 TFPI (0.63) TFPIGLP1RCALCRVIPR1BACE1
SCHEMBL31000924 0.92 TFPI (0.64) TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL31000935 0.91 TFPI (0.65) TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL31183014 0.91 GLP1R (0.63) TFPIGLP1RCALCRVIPR1
SCHEMBL30906462 0.90 OPRD1 (0.51) TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL31319513 0.89 TFPI (0.59) TFPIOPRM1OPRD1OPRK1CALCR
SCHEMBL30429493 0.89 OPRM1 (0.56) TFPIOPRM1OPRD1OPRK1
SCHEMBL30498562 0.89 TFPI (0.60) TFPIGLP1RCALCRVIPR1
SCHEMBL30721553 0.89 TFPI (0.66) TFPIGLP1RVIPR1BACE1BACE2
SCHEMBL30120636 0.89 TFPI (0.66) TFPIGLP1RVIPR1BACE1BACE2

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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