SCHEMBL14512482

SCHEMBL14512482

COC(=O)c1c(OC)c(-c2ccc(OCc3ccc(C)cc3)c(OS(C)(=O)=O)c2)cc(OC)c1-c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 16/20 0.46
GAA P10253 16/20 0.46
SI P14410 16/20 0.46
MGAM2 Q2M2H8 16/20 0.46
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL14512365 0.92 MGAM (0.56) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL14512480 0.91 MGAM (0.39) MGAMGAASIMGAM2MAPT
SCHEMBL14512144 0.90 MAPT (0.41) MGAMGAASIMGAM2MAPT
SCHEMBL14512200 0.90 FFAR4 (0.42) MGAMGAASIMGAM2MAPT
SCHEMBL14512404 0.88 MAPT (0.39) MGAMGAASIMGAM2MAPT
SCHEMBL14512484 0.88 MGAM (0.49) MGAMGAASIMGAM2MAPT
SCHEMBL14512226 0.86 MGAM (0.47) MGAMGAASIMGAM2MAPT
SCHEMBL14512489 0.85 MGAM (0.47) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL14512227 0.85 MGAM (0.58) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL14512356 0.84 MGAM (0.56) MGAMGAASIMGAM2

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-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 US disclosed
US-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 US disclosed