SCHEMBL8409585

SCHEMBL8409585

CCc1cccc(C)c1S(=O)(=S)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 3/20 0.34
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
NLRP3 Q96P20 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8412958 0.79 ACHE (0.35) SMN1; SMN2HTTMEN1LMNAPOLB
SCHEMBL8412736 0.76 CTSB (0.42) SMN1; SMN2HTTNPSR1L3MBTL1GABRA1
SCHEMBL8409777 0.73 GABRA1 (0.36) SMN1; SMN2MEN1KMT2ANR3C1PGR
SCHEMBL8409661 0.71 LMNA (0.38) SMN1; SMN2MEN1LMNAPOLBKMT2A
SCHEMBL461617 0.71 CA2 (0.42) NLRP3GABRA1GABRB2PTGS2
SCHEMBL5886048 0.71 GABRA1 (0.40) SMN1; SMN2HTTMEN1POLBKMT2A
SCHEMBL1607448 0.71 GABRA1 (0.45) SMN1; SMN2HTTMEN1POLBKMT2A
SCHEMBL8410853 0.70 NR3C1 (0.35) LMNAKMT2ANR3C1PGRNR3C2
SCHEMBL8409580 0.68 LMNA (0.33) SMN1; SMN2LMNAPOLBNPSR1L3MBTL1
SCHEMBL27489131 0.67 GABRA1 (0.36) SMN1; SMN2POLBNR3C1PGRNR3C2

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
EP-0708087-B1 Method for making a substituted benzene compound ROHM & HAAS (US) 1999-07-28 EP disclosed
US-5670691-A REACTION OF 2-SUBSTITUTED BENZENESULFONATE WITH LITHIUM COMPOUND THEN REACTION WITH ELECTROPHILE TO FORM 2,6-DISUBSTITUTED BENZENESULFONATE ROHM AND HAAS COMPANY (US) 1997-09-23 US disclosed
EP-0708087-A1 Method for making a substituted benzene compound ROHM AND HAAS COMPANY (US) 1996-04-24 EP disclosed