SCHEMBL7275318

SCHEMBL7275318

Cc1ccc(O)cc1S(=O)(=O)OCCCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCR6 P51684 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GHSR Q92847 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 2/20 0.34
HDAC1 Q13547 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 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
SCHEMBL7275310 0.81 LMNA (0.47) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL11385199 0.78 ALDH1A1 (0.43) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL1042317 0.77 F13A1 (0.47) F13A1TGM2TGM1CCR6PAX8
SCHEMBL2347168 0.76 ALDH1A1 (0.43) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL6647016 0.75 CCR6 (0.48) F13A1TGM2TGM1MEN1KMT2A
SCHEMBL8795201 0.73 GAA (0.45) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL7901531 0.73 METAP2 (0.42) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL7780922 0.73 LMNA (0.50) F13A1TGM2TGM1ALDH1A1LMNA
SCHEMBL21235957 0.72 CCR6 (0.48) F13A1TGM2TGM1KMT2ACCR6
SCHEMBL8459792 0.72 ALDH1A1 (0.44) MEN1KMT2AATML3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed