SCHEMBL9538229

SCHEMBL9538229

O=C(O)CC(=S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.46
NR4A2 P43354 1/20 0.46
CES2 O00748 2/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
PTPN1 P18031 2/20 0.45
ERCC5 P28715 1/20 0.45

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
SCHEMBL730326 0.85 POLB (0.48) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL25667317 0.84 KMT2A (0.70) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL5365745 0.82 ALDH1A1 (0.53) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL8901836 0.82 CES1 (0.48) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL6758281 0.80 ALDH1A1 (0.52) CES1SMN1; SMN2MEN1CYP3A4KMT2A
SCHEMBL11406965 0.80 CES1 (0.46) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL28235422 0.80 POLB (0.45) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL18034522 0.79 NR4A2 (0.61) CES1ALOX15MAPK1SMN1; SMN2KDM4E
Formic Acid SCHEMBL27562515 0.76 MAPK1 (0.41) CES1ALOX15MAPK1SMN1; SMN2KDM4E
SCHEMBL11718171 0.75 MAPT (0.44) CES1ALOX15MAPK1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456321-A A kind of porous hollow polymer nanometer network and its preparation method and application 中山大学 2018-08-28 CN claimed
CN-105646928-B A kind of collagen material and preparation method thereof with anti-bacterial attachment and permanent sterilization dual function 四川大学 2018-07-13 CN claimed
CN-107722169-A A kind of Macromolecular chain transfer agent containing coumarin fluorescent group and preparation method thereof 厦门大学 2018-02-23 CN claimed
CN-107652390-A Polymerized emulsion, preparation method and the aqueous binder of preparation, method and application 贵州理工学院 2018-02-02 CN claimed
CN-108456321-A A kind of porous hollow polymer nanometer network and its preparation method and application 中山大学 2018-08-28 CN disclosed
CN-105646928-B A kind of collagen material and preparation method thereof with anti-bacterial attachment and permanent sterilization dual function 四川大学 2018-07-13 CN disclosed
CN-106008863-B One kind is based on poly-(N-isopropyl acrylamide)The antiseptic activity of thermic conformation reversible transition calls switch 四川大学 2018-05-08 CN disclosed
CN-107722169-A A kind of Macromolecular chain transfer agent containing coumarin fluorescent group and preparation method thereof 厦门大学 2018-02-23 CN disclosed
CN-107722169-A A kind of Macromolecular chain transfer agent containing coumarin fluorescent group and preparation method thereof 厦门大学 2018-02-23 CN disclosed
CN-107652390-A Polymerized emulsion, preparation method and the aqueous binder of preparation, method and application 贵州理工学院 2018-02-02 CN disclosed
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP disclosed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US disclosed
EP-0004826-B1 STABILISED COMPOSITIONS BASED ON POLYVINYL CHLORIDE AND PRODUCTS MADE THEREFROM RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-11-11 EP disclosed
EP-0004826-A2 Stabilised compositions based on polyvinyl chloride and products made therefrom RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1979-10-17 EP disclosed