Sugi Predict

Sugi Predict / Compounds / SCHEMBL31385133

SCHEMBL31385133

SCHEMBL31385133

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.57
▸ CTSD P07339 1/20 0.55
▸ CALCR P30988 4/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ GLP1R P43220 1/20 0.52
▸ GRPR P30550 1/20 0.52

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
SCHEMBL31529693 1.00 BACE1 (0.57) BACE1CTSDCALCRBACE2GLP1R
SCHEMBL31385184 0.97 CALCR (0.56) BACE1CALCRGLP1R
SCHEMBL31548694 0.95 BACE1 (0.58) BACE1CTSDBACE2GLP1RGRPR
SCHEMBL31529691 0.94 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL31529688 0.94 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL31622472 0.90 CALCR (0.55) BACE1CALCRGLP1R
SCHEMBL34460635 0.90 CALCR (0.55) BACE1CALCRGLP1R
SCHEMBL31622473 0.88 CALCR (0.55) BACE1CALCRGLP1R
SCHEMBL29566290 0.88 GLP1R (0.60) BACE1CALCRGLP1R
SCHEMBL38665433 0.88 CALCR (0.54) BACE1CALCRGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119400538-A Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-02-07 — — CN claimed
CN-119400538-B Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-04-04 — — CN disclosed
CN-119400538-A Functional polypeptide modified nano composite magnetic bead, method for detecting beta-secretase by using functional polypeptide modified nano composite magnetic bead and application of functional polypeptide modified nano composite magnetic bead 甘肃省科学院传感技术研究所 2025-02-07 — — CN disclosed
Send feedback