SCHEMBL6563846

SCHEMBL6563846

CC(C)C(C(=O)O)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 5/20 0.47
NR1H2 P55055 1/20 0.47
BAX Q07812 1/20 0.47
PARP10 Q53GL7 1/20 0.44
PTGS1 P23219 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
SRC P12931 1/20 0.40
CYP2D6 P10635 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
SCHEMBL10785204 0.89 AKR1C3 (0.51) AKR1C3AKR1C2ESR1ESR2PTGS1
SCHEMBL5517061 0.89 AKR1C3 (0.51) AKR1C3AKR1C2ESR1ESR2PTGS1
SCHEMBL68895 0.89 AKR1C3 (0.51) AKR1C3AKR1C2ESR1ESR2PTGS1
SCHEMBL317875 0.80 AKR1C3 (0.75) AKR1C3AKR1C2MEN1KMT2APTGS1
SCHEMBL9818100 0.80 AKR1C3 (0.75) AKR1C3AKR1C2MEN1KMT2APTGS1
Hydrochloric Acid SCHEMBL10923723 0.79 AKR1C3 (0.73) AKR1C3AKR1C2MEN1KMT2APTGS1
SCHEMBL17017218 0.77 AKR1C3 (0.57) AKR1C3AKR1C2ESR1MEN1KMT2A
SCHEMBL9701361 0.77 CYP2D6 (0.64) ESR1ESR2MEN1KMT2APTGS1
SCHEMBL27996252 0.77 MEN1 (0.54) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL8455312 0.76 AKR1C3 (0.55) AKR1C3AKR1C2MEN1KMT2ACYP2D6

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