SCHEMBL8727615

SCHEMBL8727615

O=CNC(CCO)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 3/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL5110183 0.84 EPHX1 (0.45) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL27721314 0.84 EPHX1 (0.45) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10581083 0.82 HTT (0.46) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL431115 0.81 KMT2A (0.46) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3824259 0.81 EPHX1 (0.47) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL21383798 0.81 EPHX1 (0.47) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7862000 0.78 FDPS (0.48) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10351967 0.78 SLC1A1 (0.47) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6108993 0.77 EPHX1 (0.50) EPHX1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL10584194 0.76 NR4A1 (0.47) EPHX1SLC1A3SLC1A2SLC1A1MEN1

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
US-5854218-A Sialyl Lex analogues as inhibitors of cellular adhesion CYTEL CORPORATION (US) 1998-12-29 US disclosed
WO-1997014707-A1 SIALYL Lex ANALOGUES AS INHIBITORS OF CELLULAR ADHESION CYTEL CORPORATION (US) 1997-04-24 WO disclosed