SCHEMBL7752161

SCHEMBL7752161

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM4 Q14833 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ARNT P27540 1/20 0.32
EPAS1 Q99814 1/20 0.32
RORC P51449 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
SCHEMBL7752167 1.00 VCAM1 (0.35) VCAM1TSHRALDH1A1LMNAGRM8
SCHEMBL7752158 0.91 VCAM1 (0.32) VCAM1TSHRALDH1A1LMNAGRM8
SCHEMBL26912552 0.84 TSHR (0.44) VCAM1TSHRALDH1A1LMNACYP1A2
SCHEMBL5148317 0.76 LMNA (0.40) VCAM1TSHRALDH1A1LMNACYP1A2
SCHEMBL7752155 0.75 TDP1 (0.40) VCAM1TSHRALDH1A1CYP1A2TDP1
SCHEMBL2730878 0.74 CYP1A2 (0.41) TSHRALDH1A1LMNACYP1A2TDP1
SCHEMBL4053702 0.74 CYP1A2 (0.41) TSHRALDH1A1LMNACYP1A2TDP1
SCHEMBL7878527 0.73 GPR35 (0.44) VCAM1TSHRALDH1A1HSD17B10TDP1
SCHEMBL5149879 0.73 PDK1 (0.37) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL11303709 0.72 ALDH1A1 (0.48) VCAM1TSHRALDH1A1LMNAHSD17B10

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