SCHEMBL27966367

SCHEMBL27966367

[CH2]CCCC(CCC(=O)OCC)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL187295 0.88 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL21387 0.83 CYP4F2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL21830 0.82 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14731557 0.82 CYP1A2 (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL16258586 0.81 CYP1A2 (0.41) CYP1A2GAAMGAMSIMGAM2
Bromide SCHEMBL14722907 0.81 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14731592 0.80 CYP1A2 (0.39) CYP1A2GAAMGAMSIMGAM2
SCHEMBL26600 0.79 NR1I2 (0.37) CYP1A2GAAMGAMSIMGAM2
Bromide SCHEMBL16010201 0.76 ATM (0.37) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11633678 0.76 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2

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
CN-103889999-A Ionic tags for synthesis of oligoribonucleotides UNIV MCGILL 2014-06-25 CN disclosed