Sugi Predict

Sugi Predict / Compounds / SCHEMBL30432260

SCHEMBL30432260

SCHEMBL30432260

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 6/20 0.61
▸ TFPI P10646 4/20 0.61
▸ CXCR4 P61073 1/20 0.59
▸ KEAP1 Q14145 2/20 0.58
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ KDM1A O60341 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
SCHEMBL29364257 0.92 KEAP1 (0.59) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176437 0.91 TFPI (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176414 0.91 TFPI (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176425 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432104 0.90 TFPI (0.69) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607487 0.90 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31461960 0.90 MAPK8 (0.67) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29988048 0.90 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29827447 0.89 KEAP1 (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432086 0.89 RAMP3 (0.63) NPY2RNPY4RNPY5RNPY1RTFPI

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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