SCHEMBL7057192

SCHEMBL7057192

O=[C]c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
MAPT P10636 1/20 0.50
PTPN11 Q06124 1/20 0.47
GRM5 P41594 7/20 0.46
HNF4A P41235 1/20 0.46
KCNH2 Q12809 1/20 0.43
FFAR1 O14842 3/20 0.41

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
SCHEMBL6364777 0.87 APP (0.75) APPCA12CA1CA2CA9
SCHEMBL28886 0.84 APP (0.35) APPCA12CA1CA2CA9
SCHEMBL3080258 0.82 APP (0.67) APPCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL9124177 0.82 CYP3A4 (0.33) APPCA12CA1CA2CA9
SCHEMBL7054237 0.80 CA12 (0.54) CA12CA1CA2CA9PTPN11
SCHEMBL1070719 0.79 MAPT (0.35) APPCA12CA1CA2CA9
SCHEMBL2450399 0.79 APP (0.80) APPCA12CA1CA2CA9
Diphenylacetylene SCHEMBL27819130 0.79 APP (0.80) APPCA12CA1CA2CA9
Diphenylacetylene SCHEMBL27628902 0.79 APP (0.92) APPCA12CA1CA2CA9
SCHEMBL97617 0.76 MGLL (0.45) GRM5

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-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP disclosed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed
EP-1102739-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-30 EP disclosed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 WO disclosed