SCHEMBL9914600

SCHEMBL9914600

CCCCOC1CC(N)(C(=O)OCC)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.33
ESR1 P03372 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
PPP5C P53041 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.31
SGPL1 O95470 1/20 0.31
AKT1 P31749 6/20 0.31

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
SCHEMBL10039979 1.00 EPHX2 (0.38) EPHX2ALDH1A1ATMESR1TSHR
SCHEMBL13525934 1.00 EPHX2 (0.38) EPHX2ALDH1A1ATMESR1TSHR
SCHEMBL22945696 0.85 GAA (0.35) ALDH1A1ATMTSHRCYP1A2
SCHEMBL31462441 0.85 GAA (0.35) ALDH1A1ATMTSHRCYP1A2
SCHEMBL7700042 0.84 EPHX2 (0.39) EPHX2ALDH1A1ATMTSHRTDP1
Hydrochloric Acid SCHEMBL28715389 0.83 GAA (0.34) ALDH1A1ATMCYP1A2
SCHEMBL15318695 0.83 EPHX2 (0.39) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL15259142 0.83 EPHX2 (0.39) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL10040088 0.82 GRM4 (0.41) EPHX2ALDH1A1TSHRTDP1CYP1A2
SCHEMBL9914758 0.82 GRM4 (0.41) EPHX2ALDH1A1TSHRTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646411-B1 PREPARATION OF PET PRECURSOR BLUE EARTH DIAGNOSTICS LTD (GB) 2017-08-16 EP disclosed
US-9242924-B2 Preparation of a 1-amino-3-hydroxy-cyclobutane-1-carboxylic acid derivative GE HEALTHCARE LIMITED (GB) 2016-01-26 US disclosed
EP-2758368-B1 PREPARATION OF PET PRECURSOR GE HEALTHCARE LTD (GB) 2015-08-12 EP disclosed
WO-2012171941-A1 PREPARATION OF PET PRECURSOR GE HEALTHCARE LIMITED (GB) 2012-12-20 WO disclosed
WO-2012120025-A1 PREPARATION OF A 1-AMINO-3-HYDROXY-CYCLOBUTANE-1-CARBOXYLIC ACID DERIVATIVE GE HEALTHCARE LIMITED (GB) 2012-09-13 WO disclosed
WO-2012072567-A1 PREPARATION OF PET PRECURSOR GE HEALTHCARE LIMITED (GB) 2012-06-07 WO disclosed