SCHEMBL1490663

SCHEMBL1490663

C=CC(=O)C=C(c1cc(OC)cc(Br)c1OC)c1cc(OC)cc(Br)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
TPMT P51580 1/20 0.36
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.36
HTT P42858 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TNFRSF1A P19438 2/20 0.35
TGM2 P21980 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 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
SCHEMBL1490644 0.85 SLC22A12 (0.38) HPGDMAPTTGM2LCKFYN
SCHEMBL5243236 0.75 HSD17B10 (0.73) HSD17B10HPGDMAPTTPMTTSHR
SCHEMBL1490631 0.74 NPC1 (0.47) HSD17B10HPGDMAPTTSHRHTT
SCHEMBL1490951 0.74 MAPT (0.55) MAPTHTTTUBB1POLB
SCHEMBL30745030 0.74 HSD17B10 (0.51) HSD17B10HPGDMAPTTPMTTSHR
SCHEMBL5240714 0.74 HSD17B10 (0.51) HSD17B10HPGDMAPTTPMTTSHR
SCHEMBL5243855 0.74 TSHR (0.53) HSD17B10HPGDMAPTTPMTTSHR
SCHEMBL1490910 0.69 CES2 (0.52) HSD17B10HPGDMAPTTGM2CA2
SCHEMBL20570499 0.69 HSD17B10 (0.46) HSD17B10HPGDMAPTTPMTTSHR
SCHEMBL28783574 0.68 TSHR (0.43) HSD17B10TSHRAPOBEC3AHTTAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed