SCHEMBL8409661

SCHEMBL8409661

Cc1ccccc1S(=O)(=S)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ALDH1A1 P00352 7/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
ESR1 P03372 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR2 Q92731 2/20 0.36
GAA P10253 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
POLB P06746 2/20 0.35
HSD11B1 P28845 2/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 3/20 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
SCHEMBL4936612 0.81 MEN1 (0.44) LMNAMCOLN3ALDH1A1NPSR1SMN1; SMN2
SCHEMBL8412736 0.79 CTSB (0.42) NPSR1SMN1; SMN2HSD11B1L3MBTL1
SCHEMBL9305833 0.79 ALDH1A1 (0.38) ALDH1A1MEN1ESR1KMT2AESR2
SCHEMBL10891319 0.75 KEAP1 (0.40) LMNAMCOLN3ALDH1A1NPSR1SMN1; SMN2
SCHEMBL11711549 0.74 MEN1 (0.45) LMNAALDH1A1SMN1; SMN2MEN1ESR1
SCHEMBL14778954 0.73 MEN1 (0.44) LMNAMCOLN3ALDH1A1NPSR1SMN1; SMN2
SCHEMBL8412958 0.73 ACHE (0.35) LMNAMCOLN3ALDH1A1NPSR1SMN1; SMN2
SCHEMBL8409585 0.71 SMN1; SMN2 (0.35) LMNAMCOLN3ALDH1A1NPSR1SMN1; SMN2
SCHEMBL28138262 0.71 CA1 (0.41) LMNAMCOLN3ALDH1A1NPSR1KEAP1
SCHEMBL29415231 0.71 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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