Sugi Predict

Sugi Predict / Compounds / SCHEMBL30887977

SCHEMBL30887977

SCHEMBL30887977

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

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.64
▸ KEAP1 Q14145 1/20 0.61
▸ PTH1R Q03431 6/20 0.60
▸ TFPI P10646 3/20 0.59
▸ CRHR1 P34998 1/20 0.59
▸ CRHR2 Q13324 1/20 0.59
▸ CXCR4 P61073 1/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ MAPK9 P45984 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ GLP1R P43220 2/20 0.58

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
SCHEMBL31336977 0.92 TFPI (0.64) CALCRKEAP1TFPICXCR4
SCHEMBL30495633 0.91 CALCR (0.62) CALCRKEAP1PTH1RTFPICRHR1
Cathelicidin SCHEMBL29350781 0.91 NPY2R (0.65) CALCRKEAP1PTH1RTFPI
Trifluoroacetic Acid SCHEMBL28378335 0.90 TFPI (0.63) CALCRKEAP1TFPI
SCHEMBL30578729 0.90 CALCR (0.73) CALCRTFPICRHR1CRHR2GLP1R
SCHEMBL30578733 0.90 CALCR (0.73) CALCRTFPICRHR1CRHR2GLP1R
SCHEMBL29370426 0.90 CALCR (0.67) CALCRKEAP1MAPK8MAPK9MAPK10
SCHEMBL30938250 0.90 CALCR (0.67) CALCRKEAP1MAPK8MAPK9MAPK10
SCHEMBL30938249 0.90 CALCR (0.68) CALCRKEAP1MAPK8MAPK9MAPK10
SCHEMBL29414492 0.90 CALCR (0.68) CALCRKEAP1MAPK8MAPK9MAPK10

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-117164668-B Polypeptide compound, composition and use thereof 青岛双元泰和药业有限公司 2024-05-10 — — CN disclosed
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