SCHEMBL7946756

SCHEMBL7946756

CCOC(=O)CNC(=O)NCC(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 4/20 0.62
GAA P10253 3/20 0.61
MGAM O43451 1/20 0.59
SI P14410 1/20 0.59
MGAM2 Q2M2H8 1/20 0.59
PPIB P23284 1/20 0.59
PPIA P62937 1/20 0.59
PPIG Q13427 1/20 0.59
EPHX2 P34913 2/20 0.53
ALDH1A1 P00352 5/20 0.50
NLRP3 Q96P20 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MMP3 P08254 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TRPA1 O75762 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL16223208 0.91 PPID (0.60) PPIDGAAMGAMSIMGAM2
SCHEMBL14467616 0.89 PPID (0.54) PPIDGAAMGAMSIMGAM2
SCHEMBL8144848 0.89 GAA (0.55) PPIDGAAMGAMSIMGAM2
SCHEMBL8144854 0.89 GAA (0.55) PPIDGAAMGAMSIMGAM2
SCHEMBL7748210 0.88 PPID (0.53) PPIDGAAMGAMSIMGAM2
SCHEMBL12341387 0.88 GAA (0.59) PPIDGAAMGAMSIMGAM2
SCHEMBL12341367 0.88 GAA (0.59) PPIDGAAMGAMSIMGAM2
SCHEMBL3042437 0.87 GAA (0.53) PPIDGAAMGAMSIMGAM2
SCHEMBL3267070 0.86 PPID (0.52) PPIDGAAMGAMSIMGAM2
SCHEMBL20604079 0.86 PPID (0.51) PPIDGAAMGAMSIMGAM2

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
US-6258840-B1 ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS OF KINASES COBRA THERAPEUTICS LIMITED (GB) 2001-07-10 US disclosed
EP-0912541-A1 ANALOGUES OR DERIVATIVES OF QUERCETIN (PRODRUGS) Cobra Therapeutics Limited (GB) 1999-05-06 EP disclosed
WO-1997049693-A1 ANALOGUES OR DERIVATIVES OF QUERCETIN (PRODRUGS) COBRA THERAPEUTICS LIMITED (GB) 1997-12-31 WO disclosed
US-4328027-A Di-triethylamine salt of N,N'-bis-carboethoxymethyl-N,N'-bis-phosphonomethylurea and its use as a plant growth regulator STAUFFER CHEMICAL COMPANY (US) 1982-05-04 US disclosed