Sugi Predict

Sugi Predict / Compounds / SCHEMBL8717802

SCHEMBL8717802

SCHEMBL8717802

NC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.43
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ GSTK1 Q9Y2Q3 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSB P07858 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ GLO1 Q04760 1/20 0.34

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
SCHEMBL7464934 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL9228819 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8332723 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL29592041 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8717771 1.00 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL1443588 0.99 ECE1 (0.44) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8710506 0.97 ECE1 (0.43) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL8397119 0.97 ECE1 (0.45) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL6136428 0.97 ECE1 (0.45) ECE1OPRM1OPRD1OPRK1PTGS1
SCHEMBL6129713 0.97 ECE1 (0.45) ECE1OPRM1OPRD1OPRK1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531315-A1 AN ENZYME CAPABLE OF DEGRADING CELLULOSE OR HEMICELLULOSE. NOVO NORDISK AS (DK) 1993-03-17 — — EP claimed
WO-1991017244-A1 AN ENZYME CAPABLE OF DEGRADING CELLULOSE OR HEMICELLULOSE NOVO NORDISK A/S (DK) 1991-11-14 — — WO claimed
US-5763254-A ENDOGENOUS TO STRAIN OF FUNGUS OTHER THAN TRICHODERMA OR PHANEROCHAETE NOVO NORDISK A/S (DK) 1998-06-09 — — US disclosed
US-5686593-A ENZYME COMPRISES CATALYTICALLY ACTIVE DOMAIN AND CARBOHYDRATE BINDING DOMAIN; DERIVABLE FROM FUNGUS OTHER THAN TRICHODERMA OR PHANEROCHAETE NOVO NORDISK A/S (DK) 1997-11-11 — — US disclosed
EP-0531315-A1 AN ENZYME CAPABLE OF DEGRADING CELLULOSE OR HEMICELLULOSE. NOVO NORDISK AS (DK) 1993-03-17 — — EP disclosed
WO-1991017244-A1 AN ENZYME CAPABLE OF DEGRADING CELLULOSE OR HEMICELLULOSE NOVO NORDISK A/S (DK) 1991-11-14 — — WO disclosed
Send feedback