SCHEMBL5374162

SCHEMBL5374162

O=C(O)c1ccc(C(=O)OCCOCCO)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 3/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
PTK2B Q14289 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL10493881 0.94 KDM4E (0.44) SERPINE1KDM4ELMNACYP1A2CYP2C9
SCHEMBL10939038 0.94 KDM4E (0.44) SERPINE1KDM4ELMNACYP1A2CYP2C9
SCHEMBL5365869 0.91 KDM4E (0.45) SERPINE1KDM4ELMNATSHRCDC25A
SCHEMBL10939032 0.90 SERPINE1 (0.45) SERPINE1KDM4ELMNACYP1A2CYP2C9
SCHEMBL10493877 0.90 SERPINE1 (0.45) SERPINE1KDM4ELMNACYP1A2CYP2C9
Di(Hydroxyethyl)Ether SCHEMBL3801986 0.88 KDM4E (0.51) KDM4ELMNATSHRCDC25ACDC25B
Di(Hydroxyethyl)Ether SCHEMBL9045045 0.88 KDM4E (0.51) KDM4ELMNATSHRCDC25ACDC25B
SCHEMBL10819510 0.87 TSHR (0.55) SERPINE1KDM4ELMNATSHRHSD17B10
SCHEMBL705602 0.86 KDM4E (0.42) SERPINE1KDM4ELMNATSHRHSD17B10
Methacrylic Acid SCHEMBL2127460 0.86 POLB (0.39) SERPINE1KDM4ELMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241855-B2 Method for the manufacture of polyesters ZIMMER AKTIENGESELLSCHAFT (DE) 2007-07-10 US claimed