SCHEMBL7590944

SCHEMBL7590944

Nc1cc(C(=O)NCC(O)CO)cc(C(O)CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 1/20 0.41
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 1/20 0.36
PRF1 P14222 1/20 0.36
LOX P28300 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ACSS2 Q9NR19 2/20 0.34

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
SCHEMBL8380052 0.90 KDM4E (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL905517 0.89 KDM4E (0.48) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL8416686 0.89 MAPT (0.43) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL1116045 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL8934977 0.87 KDM4E (0.42) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL26370768 0.86 KDM4E (0.41) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL8564791 0.84 LMNA (0.39) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL3878826 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL30129826 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL7592569 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDPRMT5WDR77

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