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Sugi Predict / Compounds / SCHEMBL30432425

SCHEMBL30432425

SCHEMBL30432425

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.60
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ NPY2R P49146 7/20 0.57
▸ NPY4R P50391 7/20 0.57
▸ NPY5R Q15761 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ RAMP3 O60896 8/20 0.56
▸ CALCR P30988 8/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 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
SCHEMBL29771673 0.88 NPY2R (0.65) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182574 0.87 CALCR (0.63) KDM1AMAPK8MAPK9MAPK10NPY2R
SCHEMBL30432595 0.87 MAPK8 (0.59) KDM1AMAPK8MAPK9MAPK10NPY2R
SCHEMBL30432430 0.87 NPY2R (0.64) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495696 0.87 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30262212 0.86 CALCR (0.64) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495819 0.86 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31307221 0.86 C5AR1 (0.57) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30262210 0.86 KDM1A (0.74) KDM1AMAPK8MAPK9MAPK10NPY2R
SCHEMBL30432183 0.86 F2 (0.59) KDM1ANPY2RNPY4RNPY5RNPY1R

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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