SCHEMBL7054237

SCHEMBL7054237

O=[C]c1cccc(C#Cc2cccc(O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
CA1 P00915 3/20 0.54
FFAR1 O14842 2/20 0.50
GRM5 P41594 2/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
IKBKB O14920 1/20 0.42
KMT2A Q03164 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.40
PGK1 P00558 1/20 0.38
HNF4A P41235 1/20 0.38
CA6 P23280 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL910840 0.91
SCHEMBL718295 0.87 CA12 (0.60) CA12CA2CA9CA1FFAR1
SCHEMBL7057192 0.80 APP (0.57) CA12CA2CA9CA1FFAR1
SCHEMBL30493627 0.80 CA12 (0.59) CA12CA2CA9CA1FFAR1
SCHEMBL722068 0.80 CA12 (0.59) CA12CA2CA9CA1FFAR1
SCHEMBL27941360 0.79 CA12 (0.50) CA12CA2CA9CA1FFAR1
SCHEMBL28886 0.79 APP (0.35) CA12CA2CA9CA1ALDH1A1
SCHEMBL12289090 0.78 CA12 (0.62) CA12CA2CA9CA1FFAR1
Hydrochloric Acid SCHEMBL9124177 0.77 CYP3A4 (0.33) CA12CA2CA9CA1ALDH1A1
SCHEMBL18130072 0.75 CA12 (0.59) CA12CA2CA9CA1FFAR1

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
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
CN-1311767-A Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KAROBIO AB (SE) 2001-09-05 CN 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