Sugi Predict

Sugi Predict / Compounds / SCHEMBL30088927

SCHEMBL30088927

SCHEMBL30088927

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.55
▸ CALCRL Q16602 4/20 0.53
▸ BACE2 Q9Y5Z0 4/20 0.52
▸ CTSD P07339 2/20 0.51
▸ RAMP1 O60894 1/20 0.49

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
SCHEMBL29546599 0.97 CALCRL (0.53) BACE1CALCRLBACE2CTSDRAMP1
SCHEMBL30097906 0.97 CALCRL (0.55) BACE1CALCRLBACE2CTSDRAMP1
SCHEMBL29471358 0.96 CALCRL (0.54) BACE1CALCRLBACE2CTSDRAMP1
SCHEMBL30682547 0.90 OPRK1 (0.52) CALCRL
SCHEMBL30603858 0.87 CALCRL (0.53) CALCRLRAMP1
SCHEMBL29580071 0.87 CALCRL (0.61) BACE1CALCRLRAMP1
SCHEMBL29579573 0.86 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29576682 0.84 CALCRL (0.57) CALCRLRAMP1
SCHEMBL30974436 0.82 CALCRL (0.52) CALCRL
SCHEMBL30259249 0.81 BACE1 (0.60) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115531382-B Use of quinoline thiazolinone derivative Ro-3306 in treatment of beta-coronavirus infection 中国科学院生物物理研究所 2024-01-30 — — CN disclosed
CN-115531383-B Application of quinoline thiazolinone derivative Ro-3306 in treatment of neurodegenerative diseases 中国科学院生物物理研究所 2023-11-10 — — CN disclosed
CN-115531382-A Application of quinoline thiazolinone derivative Ro-3306 in treatment of beta-coronavirus infection 中国科学院生物物理研究所 2022-12-30 — — CN disclosed
CN-115531383-A Application of quinoline thiazolinone derivative Ro-3306 in treatment of neurodegenerative diseases 中国科学院生物物理研究所 2022-12-30 — — CN disclosed
CN-115541542-A Small molecule compound screening method based on physical properties of biomacromolecule liquid aggregate 中国科学院生物物理研究所 2022-12-30 — — CN disclosed
Send feedback