Sugi Predict

Sugi Predict / Compounds / SCHEMBL9755633

SCHEMBL9755633

SCHEMBL9755633

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.48
▸ OPRD1 P41143 6/20 0.47
▸ OPRM1 P35372 5/20 0.47
▸ OPRK1 P41145 3/20 0.47

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
Hydrochloric Acid SCHEMBL11124715 0.86 CTSB (0.45) CTSBOPRD1OPRM1OPRK1
SCHEMBL31410681 0.82 BACE1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL29630425 0.81 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL3059726 0.80 OPRD1 (0.45) OPRD1OPRM1OPRK1
SCHEMBL3059718 0.80 OPRD1 (0.45) OPRD1OPRM1OPRK1
SCHEMBL31461893 0.80 OPRD1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL22862026 0.79 SLC7A5 (0.45) CTSB
SCHEMBL11832854 0.79 OPRM1 (0.46) CTSBOPRD1OPRM1OPRK1
SCHEMBL11841346 0.79 OPRM1 (0.46) CTSBOPRD1OPRM1OPRK1
SCHEMBL29822509 0.79 OPRM1 (0.51) CTSBOPRD1OPRM1OPRK1

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
WO-1991019984-A1 CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND APPARATUS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-12-26 — — WO disclosed
US-5064767-A CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND KIT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-11-12 — — US disclosed
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