SCHEMBL9422948

SCHEMBL9422948

CC(OC(=O)C(C)(C)C)Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
ELANE P08246 4/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL9427630 0.80 LMNA (0.42) POLBMAPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL28617660 0.80 ALDH1A1 (0.43) POLBMAPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL465266 0.79 LMNA (0.41) POLBMAPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL10767133 0.77 TSHR (0.52) POLBLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8896301 0.76 L3MBTL1 (0.42) POLBMAPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL42561 0.75 LMNA (0.38) POLBMAPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL2392777 0.75 ELANE (0.41) LMNAL3MBTL1SMN1; SMN2GAAKDM4E
SCHEMBL4753583 0.73 ALDH1A1 (0.47) POLBLMNASMN1; SMN2GAAKDM4E
SCHEMBL2609246 0.73 HCAR2 (0.54) L3MBTL1SMN1; SMN2KDM4EALDH1A1ELANE
SCHEMBL585750 0.73 HCAR2 (0.54) L3MBTL1SMN1; SMN2KDM4EALDH1A1ELANE

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
US-5354549-A Iodinated esters NYCOMED IMAGING AS (NO) 1994-10-11 US disclosed
EP-0300828-B1 IODINATED ESTERS NYCOMED AS (NO) 1992-03-18 EP disclosed
WO-1989000988-A1 IODINATED ESTERS NYCOMED AS (NO) 1989-02-09 WO disclosed
EP-0300828-A1 Iodinated esters NYCOMED AS (NO) 1989-01-25 EP disclosed