SCHEMBL6563853

SCHEMBL6563853

CC(C)OC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
LTA4H P09960 2/20 0.47
POLB P06746 1/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KLK7 P49862 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
PARP10 Q53GL7 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL9626909 0.92 TSHR (0.70) TSHRPOLBCA2CA12CA1
SCHEMBL4901678 0.84 TSHR (0.81) TSHRPOLBKLK7MEN1KMT2A
SCHEMBL317876 0.81 TSHR (0.66) TSHRKLK7KMT2ATDP1SMN1; SMN2
SCHEMBL10309729 0.78 TSHR (0.70) TSHRPOLBKLK7MEN1KMT2A
SCHEMBL5175026 0.78 TSHR (0.76) TSHRPOLBCA2KLK7MEN1
SCHEMBL14010060 0.78 TSHR (0.70) TSHRPOLBKLK7MEN1KMT2A
SCHEMBL10369206 0.76 TSHR (0.68) TSHRPOLBKLK7MEN1KMT2A
SCHEMBL27255868 0.76 TSHR (0.68) TSHRPOLBKLK7MEN1KMT2A
SCHEMBL29197989 0.76 TSHR (0.68) TSHRPOLBKLK7MEN1KMT2A
SCHEMBL27455918 0.76 TSHR (0.68) TSHRPOLBKLK7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040234592-A1 Mixture containing thyroid hormone , ethanolamine and emulsifier KARO BIO AB (SE) 2004-11-25 US claimed
EP-1404413-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2004-04-07 EP claimed
EP-1398024-A2 Uses for thyroid hormone compounds KARO BIO AB (SE) 2004-03-17 EP claimed
EP-0831769-B1 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KAROBIO AB (SE) 2003-10-15 EP claimed
WO-2002089917-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2002-11-14 WO claimed
CN-101291640-A Thyroxine compounds for the treatment of burns and fat deposits in humans THOMAS LAVIN (US) 2008-10-22 CN disclosed
US-20040234592-A1 Mixture containing thyroid hormone , ethanolamine and emulsifier KARO BIO AB (SE) 2004-11-25 US disclosed
EP-1404413-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2004-04-07 EP disclosed
WO-2002089917-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2002-11-14 WO disclosed