SCHEMBL7902156

SCHEMBL7902156

CCCCCS(=O)(=O)/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGFR P00533 1/20 0.44
PPARG P37231 3/20 0.42

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
SCHEMBL5872367 1.00 LMNA (0.46) LMNAHTTNPC1S1PR2S1PR4
SCHEMBL5872086 0.95 LMNA (0.52) LMNAHTTNPC1S1PR2S1PR4
SCHEMBL5872237 0.87 PPARG (0.46) LMNAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL6755927 0.84 TDP1 (0.45) LMNAALDH1A1MAPTHPGDXBP1
SCHEMBL6756044 0.84 TDP1 (0.45) LMNAALDH1A1MAPTHPGDXBP1
SCHEMBL6754918 0.84 TDP1 (0.45) LMNAALDH1A1MAPTHPGDXBP1
(Z)-1,2-Diphenylethene SCHEMBL9484423 0.82 EGFR (0.46) LMNATP53MAPTSMN1; SMN2EGFR
(Z)-1,2-Diphenylethene SCHEMBL9484428 0.82 EGFR (0.46) LMNATP53MAPTSMN1; SMN2EGFR
SCHEMBL5872294 0.81 PPARG (0.50) LMNAHTTNPC1ALDH1A1MAPT
SCHEMBL12513073 0.81 PPARG (0.50) LMNAHTTNPC1ALDH1A1MAPT

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
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 US claimed
EP-2349998-B1 A NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2013-07-17 EP disclosed
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 US disclosed
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 US disclosed
JP-2000336074-A PRODUCTION OF [2-(ARYLSULFONYL)ETHENYL]BENZENE DERIVATIVE SUMITOMO CHEM CO LTD 2000-12-05 JP disclosed