SCHEMBL8893700

SCHEMBL8893700

COC(=O)COCC([O])=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
LMNA P02545 4/20 0.35
KMT2A Q03164 2/20 0.34
TET2 Q6N021 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1335833 0.89 TSHR (0.56) TSHRHSD17B10MGAMGAASI
SCHEMBL6463788 0.83 TSHR (0.50) TSHRHSD17B10MGAMGAASI
Ethylene Glycol SCHEMBL9359880 0.81 TSHR (0.48) TSHRHSD17B10MGAMGAASI
Ethylene Glycol SCHEMBL9359829 0.81 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL7648165 0.81 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL7889399 0.80 MGAM (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL9126301 0.80
SCHEMBL5356822 0.80
SCHEMBL11956800 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL692344 0.79 MGAM (0.55) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP claimed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed