SCHEMBL4046891

SCHEMBL4046891

CC(O)COc1ccc(Sc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.70
SMN1; SMN2 Q16637 4/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRB3 P13945 1/20 0.45
SLC6A4 P31645 1/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
BACE1 P56817 1/20 0.43
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL1402464 0.93 LMNA (0.62) LMNASMN1; SMN2ADRB2ADRB1CYP2D6
SCHEMBL4046646 0.83 MAPT (0.47) LMNASMN1; SMN2ADRB2ADRB1CYP2D6
SCHEMBL2943775 0.83 LMNA (1.00) LMNAADRB2ADRB1CYP2D6ADRB3
SCHEMBL50453 0.83 LMNA (1.00) LMNAADRB2ADRB1CYP2D6ADRB3
SCHEMBL1618880 0.83 LMNA (1.00) LMNAADRB2ADRB1CYP2D6ADRB3
SCHEMBL3254859 0.83 LMNA (1.00) LMNAADRB2ADRB1CYP2D6ADRB3
SCHEMBL11853556 0.83 LMNA (0.56) LMNASMN1; SMN2ADRB2ADRB1CYP2D6
SCHEMBL14546451 0.82 LMNA (0.53) LMNASMN1; SMN2ADRB2ADRB1CYP2D6
SCHEMBL5949941 0.81 LMNA (0.78) LMNASMN1; SMN2ADRB2ADRB1CYP2D6
SCHEMBL9513813 0.80 LMNA (0.78) LMNASMN1; SMN2ADRB2ADRB1CYP2D6

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