SCHEMBL7767013

SCHEMBL7767013

O=C(O)COc1ccc(Cc2ccc(OC[C@H](O)[C@@H](O)COc3ccc(Cc4ccc(OCC(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
CYP1A2 P05177 1/20 0.48
ADRB2 P07550 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PTPN7 P35236 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN12 Q05209 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL17154344 0.83 ALOX15 (0.55) ALOX15PTPN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5004504 0.82 ALOX15 (0.70) ALOX15PTPN1ALDH1A1FFAR1MEN1
SCHEMBL7768967 0.80 ALDH1A1 (0.46) ALOX15PTPN1ALDH1A1CYP1A2TSHR
SCHEMBL11377919 0.79 LMNA (0.56) ALOX15PTPN1ALDH1A1ADRB1ADRB3
SCHEMBL339492 0.78 ALOX15 (0.81) ALOX15ALDH1A1TSHRSMN1; SMN2FFAR1
SCHEMBL9782055 0.77 ALOX15 (0.57) ALOX15PTPN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4781395 0.77 ALOX15 (0.61) ALOX15ALDH1A1TSHRSMN1; SMN2FFAR1
SCHEMBL2439826 0.75 ALOX15 (0.59) ALOX15ALDH1A1TSHRSMN1; SMN2FFAR1
SCHEMBL10702376 0.75 ALDH1A1 (0.57) ALOX15ALDH1A1ADRB1ADRB3CYP1A2
SCHEMBL9832704 0.74 ALOX15 (0.63) ALOX15ALDH1A1TSHRSMN1; SMN2FFAR1

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-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed