SCHEMBL7749609

SCHEMBL7749609

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
VCAM1 P19320 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 2/20 0.37

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
SCHEMBL7744967 0.91 POLB (0.42) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL7752183 0.90 MAPT (0.38) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL15059313 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL7752175 0.85 MAPT (0.38) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL18795102 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL7750957 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL3353890 0.82 ALDH1A1 (0.45) ALDH1A1LMNAPOLBTHRBMAPT
SCHEMBL19255154 0.81 MAPT (0.48) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL19249685 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL492620 0.80 MAPT (0.54) ALDH1A1SMN1; SMN2LMNAHPGDMITF

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