SCHEMBL7420855

SCHEMBL7420855

COc1ccccc1SN(CCCCCC(=O)O)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.49
▸ LMNA P02545 1/20 0.43
▸ ACHE P22303 11/20 0.41
▸ BCHE P06276 10/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL7339482 0.77 PDE4B (0.47) ACHEBCHEMTNR1AMTNR1BHDAC3
SCHEMBL4410750 0.76 PTGS2 (0.75) PTGS2LMNAPOLBSMN1; SMN2MTNR1A
SCHEMBL4273970 0.76 PTGS2 (0.75) PTGS2LMNAPOLBSMN1; SMN2MTNR1A
SCHEMBL4404145 0.76 PTGS2 (0.75) PTGS2LMNAPOLBSMN1; SMN2MTNR1A
SCHEMBL4266887 0.76 PTGS2 (0.75) PTGS2LMNAPOLBSMN1; SMN2MTNR1A
SCHEMBL7394130 0.75 LMNA (0.49) PTGS2LMNAACHEBCHEPOLB
SCHEMBL4413192 0.74 PTGS2 (0.72) PTGS2LMNAPOLBSMN1; SMN2MTNR1A
SCHEMBL7423311 0.73 RXFP1 (0.36) PTGS2LMNAACHEBCHEPOLB
SCHEMBL31319108 0.73 MTNR1A (0.44) PTGS2LMNAACHEBCHEPOLB
SCHEMBL11603765 0.73 PTGS2 (0.66) PTGS2LMNAPOLBSMN1; SMN2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 — — US disclosed
US-5747513-A HYPOTENSIVE AGENTS, HEART FAILURE AND CEREBROVASCULAR INSUFFICIENCY ZAMBON GROUP, S.P.A. (IT) 1998-05-05 — — US disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 — — EP disclosed
EP-0719252-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1996-07-03 — — EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 — — WO disclosed
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