SCHEMBL7749490

SCHEMBL7749490

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.42
GPR35 Q9HC97 2/20 0.40
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
GRIA2 P42262 1/20 0.39
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7749482 1.00 VCAM1 (0.42) VCAM1GPR35CYP1A2TSHRMAPK1
SCHEMBL7749617 0.88 VCAM1 (0.45) VCAM1GPR35CYP1A2TSHRMAPK1
SCHEMBL7749628 0.88 VCAM1 (0.45) VCAM1GPR35CYP1A2TSHRMAPK1
SCHEMBL7744960 0.87 VCAM1 (0.38) VCAM1GPR35CYP1A2TSHRMAPK1
SCHEMBL7744957 0.87 VCAM1 (0.38) VCAM1GPR35CYP1A2TSHRMAPK1
SCHEMBL3354328 0.83 LMNA (0.44) CYP1A2TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL23577629 0.81 MEN1 (0.45) VCAM1CYP1A2MAPK1ALDH1A1CYP3A4
SCHEMBL6354483 0.81 SLC9A1 (0.45) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL6354489 0.81 SLC9A1 (0.45) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL7745002 0.80 ATM (0.39) VCAM1GPR35CYP1A2TSHRMAPK1

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