SCHEMBL7752183

SCHEMBL7752183

CCOC(=O)C(C(C)=O)c1cc(F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 3/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL7750957 0.94 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7752175 0.90 MAPT (0.38) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7749609 0.90 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7744963 0.84 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7744967 0.84 POLB (0.42) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL15059313 0.82 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL18795102 0.80 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL13532051 0.79 MAPT (0.43) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3353890 0.78 ALDH1A1 (0.45) MAPTALDH1A1LMNAPOLBKMT2A
SCHEMBL7744960 0.77 VCAM1 (0.38) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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
EP-0781757-B1 Process for the preparation of fluorinated benzoic acids ABBOTT LAB (US) 2001-01-03 EP disclosed
EP-0610384-B1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LAB (US) 1997-09-03 EP disclosed
EP-0781757-A1 Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-07-02 EP disclosed
US-5637765-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-06-10 US disclosed
US-5633399-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1997-05-27 US disclosed
US-5576455-A Process for the preparation of fluorinated benzoic acids ABBOTT LABORATORIES (US) 1996-11-19 US disclosed