Sugi Predict

Sugi Predict / Compounds / SCHEMBL30887559

SCHEMBL30887559

SCHEMBL30887559

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

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ CALCR P30988 4/20 0.62
▸ NPY2R P49146 10/20 0.61
▸ NPY4R P50391 8/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY1R P25929 8/20 0.61
▸ EP300 Q09472 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ VIPR1 P32241 1/20 0.60

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
SCHEMBL31182925 0.92 CALCR (0.68) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30335483 0.91 NPY2R (0.64) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL31182683 0.90 NPY2R (0.71) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358205 0.90 NPY2R (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974488 0.90 EP300 (0.61) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31005074 0.90 EP300 (0.61) MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30658298 0.89 NPY2R (0.71) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30432502 0.89 NPY2R (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182824 0.89 NPY2R (0.72) MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30658265 0.89 NPY2R (0.70) MAPK8MAPK9MAPK10CALCRNPY2R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924471-A Antibodies or antigen binding fragments that specifically bind E2 proteins and uses thereof 杭州傲锐生物医药科技有限公司 2024-04-26 — — CN disclosed
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