Sugi Predict

Sugi Predict / Compounds / SCHEMBL9099489

SCHEMBL9099489

SCHEMBL9099489

O=S(=O)(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]4[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8COS(=O)(=O)O)O[C@@H]7CO)O[C@@H]6COS(=O)(=O)O)O[C@@H]5COS(=O)(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3COS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TXNRD1 Q16881 6/20 0.42
▸ TXNRD3 Q86VQ6 6/20 0.42
▸ TXNRD2 Q9NNW7 6/20 0.42
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ FGF1 P05230 2/20 0.34
▸ FGF2 P09038 2/20 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
SCHEMBL8265 0.98 ALDH1A1 (0.50) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL7628032 0.93 FYN (0.40) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL7625544 0.93 FYN (0.40) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL29350097 0.91 ALDH1A1 (0.41) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL7618650 0.90 FYN (0.39) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL30767995 0.89 ALDH1A1 (0.61) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL432885 0.87 ALDH1A1 (0.62) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL2305805 0.87 ALDH1A1 (0.62) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL398655 0.87 ALDH1A1 (0.62) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL1056613 0.87 ALDH1A1 (0.62) ALDH1A1TSHRLMNATDP1TXNRD1

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
US-5516766-A PROTEINS ADSORBED ON CYCLODEXTRINS, SUCH AS HEPARIN BINDING GROWTH FACTOR, FIBROBLAST GROWTH FACTOR FOR POLYIONIC DERIVATIVES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-05-14 — — US disclosed
US-5262404-A Oligosaccharides, sulfation, drug delivery of protein factors; polyionic derivatives THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA/CHILDRENS HOSPITAL CORPORATION (US) 1993-11-16 — — US disclosed
US-5183809-A Polyionic sulfated derivatives of cyclodextrin; affinity chromatography for separation of proteins, e.g. growth factors; protein storage; drug delivery THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA/CHILDRENS HOSPITAL CORPORATION (US) 1993-02-02 — — US disclosed