SCHEMBL7752158

SCHEMBL7752158

CC(=O)C(C(=O)O)c1ccc(Cl)c(F)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
AKR1B1 P15121 1/20 0.31
LMNA P02545 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
GRM4 Q14833 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDK1 Q15118 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7752161 0.91 VCAM1 (0.35) VCAM1TSHRALDH1A1LMNAGRM8
SCHEMBL7752167 0.91 VCAM1 (0.35) VCAM1TSHRALDH1A1LMNAGRM8
SCHEMBL7752147 0.78 MAPT (0.37) VCAM1TSHRALDH1A1PDK1CYP1A2
SCHEMBL26912552 0.76 TSHR (0.44) VCAM1TSHRALDH1A1LMNAMEN1
SCHEMBL5148317 0.75 LMNA (0.40) VCAM1TSHRALDH1A1LMNACYP1A2
SCHEMBL5149879 0.71 PDK1 (0.37) ALDH1A1LMNAMEN1KMT2APDK1
SCHEMBL14186825 0.69 ALDH1A1 (0.39) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL7878527 0.69 GPR35 (0.44) VCAM1TSHRALDH1A1
SCHEMBL11303709 0.68 ALDH1A1 (0.48) VCAM1TSHRALDH1A1LMNAMEN1
SCHEMBL287937 0.68 PTGS2 (0.41) TSHRMEN1KMT2A

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