SCHEMBL7325258

SCHEMBL7325258

CC(=O)OC(=O)c1ccccc1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
ALDH1A1 P00352 8/20 0.40
TSHR P16473 7/20 0.40
HSD17B10 Q99714 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
HPGD P15428 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL29074431 0.87 MAPT (0.60) MAPTHDAC8ALDH1A1TSHRHSD17B10
SCHEMBL2778 0.85 TSHR (0.52) ITGB1ITGA5ALDH1A1TSHRHSD17B10
SCHEMBL30084385 0.85 TSHR (0.52) ITGB1ITGA5ALDH1A1TSHRHSD17B10
SCHEMBL27931437 0.83 TSHR (0.50) ITGB1ITGA5ALDH1A1TSHRHSD17B10
Acetone SCHEMBL29281281 0.83 TSHR (0.50) ITGB1ITGA5ALDH1A1TSHRHSD17B10
SCHEMBL1896602 0.83 TSHR (0.50) ITGB1ITGA5ALDH1A1TSHRHSD17B10
SCHEMBL28206063 0.83 TSHR (0.50) ITGB1ITGA5ALDH1A1TSHRHSD17B10
SCHEMBL6383298 0.83 TSHR (0.50) ITGB1ITGA5ALDH1A1TSHRHSD17B10
SCHEMBL9897059 0.82 ITGB1 (0.38) MAPTHDAC8ITGB1ITGA5ALDH1A1
Acetic Acid SCHEMBL28536661 0.81 TSHR (0.48) ITGB1ITGA5ALDH1A1TSHRHSD17B10

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-0437886-A2 Stabilizer composition for polymers of vinyl chloride and polymeric compositions containing such compositions EUROPEAN VINYLS CORPORATION (ITALIA) S.p.A. (IT) 1991-07-24 EP claimed
EP-0664806-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed
WO-1994008995-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed
CN-1019667-B Process for preparing benzothiazinone derivatives SHELL INT RESEARCH (NL) 1992-12-30 CN disclosed
EP-0437886-A2 Stabilizer composition for polymers of vinyl chloride and polymeric compositions containing such compositions EUROPEAN VINYLS CORPORATION (ITALIA) S.p.A. (IT) 1991-07-24 EP disclosed
CN-87104156-A Benzo buprofezin derivate 1987-12-16 CN disclosed