SCHEMBL14540982

SCHEMBL14540982

O=C(O)[C@@H](F)Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
TTR P02766 1/20 0.44
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PPARG P37231 1/20 0.39
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HIF1A Q16665 2/20 0.37
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
FFAR1 O14842 1/20 0.34
SIRT5 Q9NXA8 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL14540741 0.81 FOLH1 (0.41) PTPN1TTRTHRATHRBPPARG
SCHEMBL3137725 0.81 FOLH1 (0.41) PTPN1TTRTHRATHRBPPARG
SCHEMBL2166740 0.79 KDM6B (0.53) PTPN1TTRTHRATHRBPPARG
SCHEMBL2166747 0.79 KDM6B (0.53) PTPN1TTRTHRATHRBPPARG
SCHEMBL5858308 0.78 PTPN1 (0.44) PTPN1TTRTHRATHRBPPARG
Dibromotyrosine SCHEMBL145218 0.78 THRB (0.58) PTPN1TTRTHRATHRBPPARG
Dibromotyrosine SCHEMBL838919 0.78 THRB (0.58) PTPN1TTRTHRATHRBPPARG
Dibromotyrosine SCHEMBL145219 0.78 THRB (0.58) PTPN1TTRTHRATHRBPPARG
Dibromotyrosine SCHEMBL29399010 0.76 THRB (0.57) TTRTHRATHRBPPARGCYP3A4
SCHEMBL3960051 0.75 CPA1 (0.56) PTPN1TTRTSHRCYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007039125-A2 AN OPTICALLY ACTIVE THYROID RECEPTOR AGONIST AND OPTICALLY ACTIVE KEY INTERMEDIATES IN ITS PRODUCTION KARO BIO AB (SE) 2007-04-12 WO disclosed