SCHEMBL7769003

SCHEMBL7769003

COC(=O)Oc1cc2cc(OC)ccc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
PTGS2 P35354 3/20 0.45
PTGS1 P23219 3/20 0.45
TSHR P16473 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7763880 0.86 KMT2A (0.48) KDM4EMEN1KMT2AESR1CASP3
SCHEMBL7136988 0.83 KDM4E (0.50) KDM4EMEN1KMT2ACASP3SENP7
SCHEMBL7768952 0.83 MAPT (0.50) KDM4ECYP1A2MEN1KMT2ANPC1
SCHEMBL9622025 0.79 SMN1; SMN2 (0.59) KDM4EHSD17B1HSD17B2MEN1KMT2A
SCHEMBL15086617 0.77 CYP1A2 (0.60) KDM4EHSD17B1HSD17B2AKR1C3AKR1C2
SCHEMBL2944091 0.75 KDM4E (0.47) KDM4EHSD17B1HSD17B2AKR1C3AKR1C2
SCHEMBL2964316 0.74 NPC1 (0.54) KDM4ECYP1A2MEN1KMT2ACASP3
SCHEMBL12641829 0.74 NPC1 (0.54) KDM4ECYP1A2MEN1KMT2ACASP3
SCHEMBL8525039 0.74 MTNR1A (0.54) KDM4EPTGS1CYP1A2MEN1KMT2A
SCHEMBL7516254 0.73 KMT2A (0.42) KDM4ETSHRMEN1KMT2AESR1

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