Sugi Predict

Sugi Predict / Compounds / SCHEMBL30431820

SCHEMBL30431820

SCHEMBL30431820

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.60
▸ F2 P00734 4/20 0.59
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ NPY2R P49146 6/20 0.57
▸ NPY4R P50391 6/20 0.57
▸ NPY5R Q15761 6/20 0.57
▸ NPY1R P25929 4/20 0.57
▸ EP300 Q09472 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ OPRK1 P41145 2/20 0.57
▸ KEAP1 Q14145 1/20 0.57

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
SCHEMBL29558891 0.92 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29867615 0.91 CALCR (0.62) CALCRF2MAPK8MAPK9MAPK10
SCHEMBL30567780 0.91 F2 (0.60) CALCRF2MAPK8MAPK9MAPK10
SCHEMBL31182439 0.91 CALCR (0.63) CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30605188 0.90 KEAP1 (0.60) CALCRF2MAPK8MAPK9MAPK10
SCHEMBL30712935 0.89 NPY2R (0.64) CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30432109 0.89 CALCR (0.69) CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29679496 0.89 CALCR (0.61) CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30571162 0.89 F2 (0.61) CALCRF2KEAP1
SCHEMBL31182959 0.89 MAPK8 (0.67) CALCRMAPK8MAPK9MAPK10NPY2R

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
Send feedback