SCHEMBL9027650

SCHEMBL9027650

CCOC(=O)C1=C(C)NC=CC1P(=O)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 6/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.36
ABCC1 P33527 1/20 0.36
DHFR P00374 1/20 0.36
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1D Q01668 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL6299988 0.75 KDM4E (0.51) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL9871687 0.71 CACNA1D (0.59) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL9026938 0.66 KDM4E (0.31) GAAKDM4EMEN1KMT2A
SCHEMBL3323518 0.60 GAA (1.00) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL9513823 0.60 MEN1 (0.51) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL4045529 0.59 TSHR (0.61) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL3503405 0.59 KDM4E (1.00) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL31376339 0.59 KDM4E (0.46) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL15462086 0.59 ALDH1A1 (0.42) GAAPOLBKDM4ELMNAALDH1A1
SCHEMBL6948834 0.59 GAA (0.33) GAAALDH1A1TSHRMEN1KMT2A

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed