SCHEMBL6229092

SCHEMBL6229092

C#Cc1ccc(I)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.40
FFAR1 O14842 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TPMT P51580 1/20 0.33
CYP1A2 P05177 1/20 0.33
TTR P02766 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
HAO1 Q9UJM8 2/20 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
SCHEMBL28829088 0.85 CYP1A2 (0.38) HNF4AFFAR1PTGS1PTGS2ADRA2B
SCHEMBL541999 0.82 HNF4A (0.43) HNF4AFFAR1PTGS1PTGS2ADRA2B
SCHEMBL2830780 0.81 MAP2K1 (0.48) HNF4AALDH1A1TTRMAP2K1MEN1
SCHEMBL2747715 0.80 F2 (0.44) HNF4AFFAR1PTGS1PTGS2ADRA2B
Hydrochloric Acid SCHEMBL6732842 0.80 HNF4A (0.42) HNF4AFFAR1PTGS1PTGS2ADRA2B
Hydrochloric Acid SCHEMBL7951893 0.79 MAP2K1 (0.47) HNF4ATTRMAP2K1HTTKMT2A
SCHEMBL689828 0.78 HNF4A (0.41) HNF4AFFAR1PTGS1PTGS2ADRA2B
SCHEMBL2536166 0.78 HNF4A (0.62) HNF4APTGS2ALDH1A1ALOX15MEN1
SCHEMBL1783561 0.77 ALDH1A1 (0.57) HNF4AALDH1A1AKR1C2AKR1C1MEN1
SCHEMBL22637148 0.77 KDM4E (0.57) HNF4AFFAR1PTGS1PTGS2ALDH1A1

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-1080368-B1 MOLECULAR ROD AND USES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2005-05-04 EP disclosed
US-6403705-B1 POLYPHENYENEVINYLENES FUNCTIONALIZED BY GROUPS WITH A VERY STRONG AFFINITY FOR BIOLOGICAL MACROMOLECULES; SPIRAL CRYSTALLIZATION COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2002-06-11 US disclosed
EP-1080368-A1 MOLECULAR ROD AND USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2001-03-07 EP disclosed
WO-1999061912-A1 MOLECULAR ROD AND USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1999-12-02 WO disclosed