Sugi Predict

Sugi Predict / Compounds / SCHEMBL29530680

SCHEMBL29530680

SCHEMBL29530680

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.67
▸ MAPK8 P45983 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ NPY2R P49146 8/20 0.64
▸ NPY4R P50391 8/20 0.64
▸ NPY5R Q15761 8/20 0.64
▸ NPY1R P25929 8/20 0.64
▸ EP300 Q09472 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ TFPI P10646 1/20 0.59
▸ GLP1R P43220 1/20 0.59

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
SCHEMBL29558997 0.93 MAPK8 (0.63) CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30495807 0.93 NPY2R (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31174208 0.93 CALCR (0.62) CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30658322 0.93 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578733 0.93 CALCR (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729 0.93 CALCR (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578734 0.93 CALCR (0.73) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182587 0.93 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29562124 0.92 NPY2R (0.67) CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30999376 0.92 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R

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
CN-114478784-B ENO2 monoclonal antibody 1C5, and preparation method and application thereof 陕西脉元生物科技有限公司 2022-11-25 — — CN disclosed
CN-114478784-A ENO2 monoclonal antibody 1C5, and preparation method and application thereof 陕西脉元生物科技有限公司 2022-05-13 — — CN disclosed