SCHEMBL7752147

SCHEMBL7752147

CC(=O)C(C(=O)O)c1ccc([N+](=O)[O-])c(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 2/20 0.35
PDK1 Q15118 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 3/20 0.34
CASP6 P55212 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
VCAM1 P19320 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7752155 0.91 TDP1 (0.40) MAPTTDP1CYP1A2PDK1HTT
SCHEMBL7752158 0.78 VCAM1 (0.32) CYP1A2PDK1ALDH1A1TSHRVCAM1
SCHEMBL31094836 0.75 TDP1 (0.41) MAPTTDP1CYP1A2PDK1ALDH1A1
SCHEMBL4438662 0.74 ATM (0.37) MAPTTDP1CYP1A2HTTALDH1A1
SCHEMBL4438665 0.74 ATM (0.37) MAPTTDP1CYP1A2HTTALDH1A1
SCHEMBL31094807 0.73 TDP1 (0.42) MAPTTDP1TSHRVCAM1MAPK1
SCHEMBL31094884 0.70 MAPT (0.41) MAPTHTTALDH1A1GAA
SCHEMBL7878524 0.69 TSHR (0.52) MAPTTDP1HTTALDH1A1TSHR
SCHEMBL20942954 0.69 TDP1 (0.47) MAPTTDP1ALDH1A1TSHRHPGD
SCHEMBL1343470 0.69 CYP1A2 (0.44) CYP1A2ALDH1A1TSHRCASP6GAA

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 8 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-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
EP-0610384-A4 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1995-01-25 EP disclosed
EP-0610384-A1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS. ABBOTT LAB (US) 1994-08-17 EP disclosed
WO-1993009077-A2 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LABORATORIES (US) 1993-05-13 WO disclosed