SCHEMBL7589132

SCHEMBL7589132

COC(=O)c1cc(C(O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL8417926 0.90 GAA (0.46) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL11267996 0.89 GAA (0.52) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL8418099 0.88 GAA (0.56) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL14864144 0.87 GAA (0.54) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL7247552 0.85 GAA (0.56) GAAHTTSMN1; SMN2ALDH1A1DUSP3
SCHEMBL11256695 0.84 ADRB2 (0.52) GAAHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL16960804 0.81 GAA (0.55) GAAHTTSMN1; SMN2ALDH1A1DUSP3
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.81 SMN1; SMN2 (0.60) GAAHTTSMN1; SMN2PTPN11POLB
SCHEMBL561284 0.81 HTT (0.64) GAAHTTSMN1; SMN2ALDH1A1POLB
SCHEMBL7589193 0.81 CYP3A4 (0.47) HTTSMN1; SMN2ALDH1A1NPC1MEN1

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
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed