SCHEMBL7437653

SCHEMBL7437653

O=C(C1COc2cc(Cl)c(Cl)cc2O1)C1COc2cc(Cl)c(Cl)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CA2 P00918 1/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
FFAR1 O14842 2/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7444500 0.89 NPC1 (0.42) POLBCA2GAAMAPTTSHR
SCHEMBL1519161 0.87 RPS6KB2 (0.49) POLBCA2GAAMAPTTSHR
SCHEMBL7443165 0.81 NPC1 (0.50) POLBCA2MAPTTSHRHTT
SCHEMBL7434315 0.81 L3MBTL1 (0.50) POLBCA2MAPTTSHRHTT
SCHEMBL7446440 0.80 GAA (0.37) POLBGAAMAPTTSHRHTT
SCHEMBL17447864 0.78 POLB (0.38) POLBCA2GAAMAPTTSHR
SCHEMBL1519306 0.78 POLB (0.48) POLBGAAMAPTTSHRHTT
SCHEMBL22397127 0.77 POLB (0.43) POLBCA2MAPTTSHRHTT
SCHEMBL7434644 0.76 NPC1 (0.38) GAAMAPTTSHRHTTALDH1A1
SCHEMBL22617280 0.74 POLB (0.46) POLBCA2GAAMAPTTSHR

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
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed