SCHEMBL11279904

SCHEMBL11279904

NC(=O)c1c(F)cccc1C(=O)OC(=O)c1cccc(F)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
KMT2A Q03164 2/20 0.45
BCHE P06276 1/20 0.42
PARP1 P09874 2/20 0.40
ALB P02768 1/20 0.40
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37
CSK P41240 1/20 0.37
PBRM1 Q86U86 2/20 0.37
PARP10 Q53GL7 1/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 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
SCHEMBL13735592 0.86 ALDH1A1 (0.49) CES2CES1KMT2AALDH1A1LMNA
SCHEMBL29349853 0.84 CES2 (0.54) CES2CES1KMT2ABCHEPARP1
SCHEMBL11266406 0.84 CES2 (0.54) CES2CES1KMT2ABCHEPARP1
SCHEMBL19136064 0.83 ALB (0.50) CES2CES1KMT2ABCHEALB
Bromide SCHEMBL29924937 0.82 CES2 (0.52) CES2CES1KMT2ABCHEPARP1
SCHEMBL7121048 0.81 ALB (0.57) CES2CES1KMT2ABCHEPARP1
SCHEMBL203321 0.80 CES2 (0.64) CES2CES1KMT2ABCHEPARP1
Ammonia Solution, Strong SCHEMBL11279325 0.79 ALB (0.55) CES2CES1KMT2ABCHEPARP1
Ammonia Solution, Strong SCHEMBL10950194 0.79 ALB (0.55) CES2CES1KMT2ABCHEPARP1
SCHEMBL9701350 0.78 CES2 (0.61) CES2CES1KMT2ABCHEALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0055630-A2 Method for the preparation of fluorophthalamic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1982-07-07 EP disclosed
EP-0055630-A2 Method for the preparation of fluorophthalamic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1982-07-07 EP disclosed