SCHEMBL7339482

SCHEMBL7339482

COc1ccc(SN(CCCCCC(=O)O)C(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.47
▸ LTB4R Q15722 2/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ HDAC8 Q9BY41 4/20 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
SCHEMBL7420855 0.77 PTGS2 (0.49) BCHEACHEMTNR1AMTNR1BHDAC8
SCHEMBL7598912 0.77 PDE4B (0.50) PDE4BLTB4RFFAR1PPARGPPARA
SCHEMBL4277119 0.75 ALDH1A1 (0.57) PDE4BLTB4RFFAR1PPARGPPARA
SCHEMBL21102450 0.75 ALDH1A1 (0.57) PDE4BLTB4RFFAR1PPARGPPARA
SCHEMBL4411960 0.75 ALDH1A1 (0.57) PDE4BLTB4RFFAR1PPARGPPARA
SCHEMBL4406395 0.73 ALDH1A1 (0.58) PDE4BFFAR1PPARGPPARAPPARD
SCHEMBL27580177 0.72 PDE4B (0.51) PDE4BLTB4RFFAR1PPARGPPARA
SCHEMBL7423311 0.72 RXFP1 (0.36) LTB4RBCHEACHEHTTALDH1A1
SCHEMBL9472491 0.71 LTA4H (0.43) ALDH1A1MAPTKDM4ERAB9A
SCHEMBL31319088 0.71 MEN1 (0.44) ACHEHTTALDH1A1MAPTMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 — — EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 — — US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 — — EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 — — WO disclosed
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