SCHEMBL10404663

SCHEMBL10404663

CCOC(=O)c1cc(C(=O)C(C)(C)Br)c(=O)[nH]c1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 4/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 6/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL8832434 0.87 ALDH1A1 (0.73) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL8832560 0.82 GAA (0.75) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL10404362 0.82 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL10404651 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL8832542 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL8832147 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL8832160 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL8832158 0.74 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL10405039 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAMAPTGAA
SCHEMBL11119891 0.73 PDE3B (0.50) ALDH1A1L3MBTL1LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920226-A FOR HERBICIDES AMERICAN CYANAMID (US) 1990-04-24 US disclosed
EP-0127883-B1 (2-Imidazolin-2-yl)thieno and furo(2,3-b) and (3,2-b) pyridines and intermediates for the preparation thereof, and use of said compounds as herbicidal agents. AMERICAN CYANAMID COMPANY (US) 1989-06-07 EP disclosed
US-4752323-A (2-imidazolin-2-yl)thieno- and furo[2,3-b] and [3,2-b]pyridines and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1988-06-21 US disclosed
US-4650514-A PRE- AND POSTEMERGENCE AMERICAN CYANAMID COMPANY (US) 1987-03-17 US disclosed
EP-0127883-A2 (2-Imidazolin-2-yl)thieno and furo(2,3-b) and (3,2-b) pyridines and intermediates for the preparation thereof, and use of said compounds as herbicidal agents. AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP disclosed