SCHEMBL7744967

SCHEMBL7744967

CCOC(=O)C(C(C)=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 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
VCAM1 P19320 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7749609 0.91 ALDH1A1 (0.40) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL7752175 0.89 MAPT (0.38) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL15059313 0.85 ALDH1A1 (0.44) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL7752183 0.84 MAPT (0.38) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL7744963 0.82 ALDH1A1 (0.42) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL13532051 0.82 MAPT (0.43) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL29875181 0.81 ALDH1A1 (0.45) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL19925887 0.81 ALDH1A1 (0.45) POLBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL18795102 0.81 ALDH1A1 (0.44) POLBALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL359022 0.78 THRB (0.43) POLBTHRBALDH1A1LMNASMN1; SMN2

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 9 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
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