SCHEMBL8913434

SCHEMBL8913434

CC1=C(C(=O)OCCOCc2ccccc2)C(c2cccc(F)c2F)C(C(=O)OC2CCCC2)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
MAPT P10636 2/20 0.41
NR3C2 P08235 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL8100065 0.83 TP53 (0.51) TP53MAPTNR3C2ACHEL3MBTL1
SCHEMBL8100090 0.81 TP53 (0.54) TP53MAPTNR3C2ACHEL3MBTL1
SCHEMBL6953550 0.80 CACNA1F (0.50) TP53MAPTNR3C2L3MBTL1
SCHEMBL9236145 0.80 TP53 (0.44) TP53MAPTNR3C2
SCHEMBL6953510 0.77 SMN1; SMN2 (0.56) TP53TDP1L3MBTL1SMN1; SMN2
SCHEMBL6948567 0.76 SMN1; SMN2 (0.57) TP53SMN1; SMN2
SCHEMBL6945817 0.76 ALOX15 (0.51) TP53MAPTADORA3
SCHEMBL8913648 0.75 ADORA3 (0.52) TP53MAPTTDP1SMN1; SMN2ADORA3
SCHEMBL6952565 0.75 ALOX15 (0.61) TP53MAPT
SCHEMBL8914307 0.75 TP53 (0.47) TP53MAPTNR3C2TDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658934-A Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed