SCHEMBL8010684

SCHEMBL8010684

O=C(NCCC(O)O)c1c[c]ccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.36
NAAA Q02083 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 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
SCHEMBL1415854 0.82 POLB (0.46) EPHX2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1490709 0.81 L3MBTL1 (0.55) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL3316339 0.81 MAOB (0.51) EPHX2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3756855 0.80 EPHX2 (0.49) EPHX2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1416098 0.78 HPGD (0.59) SMN1; SMN2NPC1RAB9ARECQL
SCHEMBL4318844 0.78 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AGAANAAA
SCHEMBL9329834 0.77 L3MBTL1 (0.43) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1455901 0.77 ALDH1A1 (0.50) SMN1; SMN2LMNAGAA
SCHEMBL3199860 0.77 RAB9A (0.54) SMN1; SMN2NPC1RAB9ACYP2C9CYP2C19
SCHEMBL3313893 0.77 GAA (0.41) EPHX2SMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968173-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 2000-01-05 EP claimed
WO-1998034905-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 1998-08-13 WO claimed
EP-0968173-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 2000-01-05 EP disclosed
WO-1998034905-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 1998-08-13 WO disclosed