SCHEMBL6251850

SCHEMBL6251850

CCOC(=O)CC(C(=O)OCC)C(CC(=O)O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
EGLN1 Q9GZT9 1/20 0.38
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8653300 0.94 TDP1 (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9540715 0.91 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9794612 0.91 TDP1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL19323989 0.91 TDP1 (0.48) MGAMGAASIMGAM2ALDH1A1
Undecane SCHEMBL8665406 0.87 TDP1 (0.44) ALDH1A1TSHRTDP1KMT2AMEN1
SCHEMBL12457255 0.82 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7672142 0.81 TDP1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2454280 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28088679 0.81 TDP1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5940396 0.81 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856315-B1 PROTEIN-FARNESYLTRANSFERASE INHIBITORS IN COMBINATION WITH HMGCOA-REDUCTASE-INHIBITORS FOR THE TREATMENT OF AIDS BANYU PHARMA CO LTD (JP) 2005-08-24 EP disclosed
US-6083985-A LOVASTATIN, SIMVASTATIN, PRAVASTATIN OR FLUVASTATIN OR DERIVATIVES DECREASES FARNESYL PYROPHOSPHATE IN VIVO; PROTEIN-FARNESYLTRANSFERASE INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
US-6017956-A AN ANTITUMOR AGENT, AN ENZYME INHIBITOR FOR INHIBITING PROTEIN-FARNESYL TRANSFERASE TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0776884-B1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMA CO LTD (JP) 2000-01-05 EP disclosed
US-5919786-A ANTITUMOR AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 US disclosed
US-5849747-A N, n-disubstituted amic acid derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0856315-A1 MEDICINAL COMPOSITION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-08-05 EP disclosed
EP-0805154-A1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5643958-A ANTITUMOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0776884-A1 SUBSTITUTED AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-06-04 EP disclosed