SCHEMBL7275310

SCHEMBL7275310

Cc1ccc(S(=O)(=O)OCCCCN(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
MAPT P10636 1/20 0.45
P2RX7 Q99572 1/20 0.45
ELANE P08246 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
LIMK2 P53671 1/20 0.40
FKBP1A P62942 1/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
POLB P06746 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL7780922 0.92 LMNA (0.50) LMNAF13A1TGM2TGM1MAPT
SCHEMBL23705526 0.88 LMNA (0.46) LMNAF13A1TGM2TGM1MAPT
SCHEMBL31122411 0.82 LMNA (0.45) LMNAF13A1TGM2TGM1MAPT
SCHEMBL21121252 0.81 LMNA (0.64) LMNAMAPTELANECA1CA2
SCHEMBL7275318 0.81 F13A1 (0.39) LMNAF13A1TGM2TGM1CCR6
SCHEMBL30850569 0.81 LMNA (0.62) LMNAMAPTELANECA1CA2
SCHEMBL6855100 0.81 LMNA (0.62) LMNAMAPTELANECA1CA2
SCHEMBL30850446 0.81 LMNA (0.62) LMNAMAPTELANECA1CA2
SCHEMBL1042317 0.80 F13A1 (0.47) F13A1TGM2TGM1MAPTCA1
SCHEMBL3868294 0.79 F2 (0.39) CA1CA2MEN1ALDH1A1KMT2A

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-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 US disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed