SCHEMBL4046646

SCHEMBL4046646

CCC(O)COc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
BACE1 P56817 1/20 0.47
CYP2D6 P10635 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL14546451 0.86 LMNA (0.53) MAPTHTTSMN1; SMN2LMNABACE1
SCHEMBL166337 0.84 LMNA (0.64) MAPTHTTSMN1; SMN2LMNACYP2D6
SCHEMBL4046891 0.83 LMNA (0.70) MAPTHTTSMN1; SMN2LMNABACE1
SCHEMBL29620677 0.82 MAPT (0.57) MAPTHTTSMN1; SMN2LMNAPOLB
SCHEMBL13853192 0.82 MAPT (0.49) MAPTHTTSMN1; SMN2LMNABACE1
SCHEMBL1496637 0.81 LTA4H (0.58) MAPTHTTSMN1; SMN2LMNACYP2D6
SCHEMBL4045324 0.79 BACE1 (0.58) MAPTHTTSMN1; SMN2LMNABACE1
SCHEMBL14901480 0.78 POLB (0.50) MAPTSMN1; SMN2LMNACYP2D6ADRB2
SCHEMBL890956 0.78 AR (0.51) MAPTHTTSMN1; SMN2LMNABACE1
SCHEMBL1602186 0.77 LTA4H (0.41) SMN1; SMN2LMNABACE1CYP2D6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP disclosed
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed