SCHEMBL7749586

SCHEMBL7749586

O=C(F)c1ccc(F)c(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.50
CES1 P23141 7/20 0.50
MGAM O43451 1/20 0.45
AMY1A P0DUB6 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
BCHE P06276 1/20 0.39
P2RX7 Q99572 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP2K1 Q02750 2/20 0.36
GRIK1 P39086 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34

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
SCHEMBL31392754 0.83 CES2 (0.50) CES2CES1MGAMAMY1AGAA
SCHEMBL2579411 0.83 CES2 (0.50) CES2CES1MGAMAMY1AGAA
SCHEMBL9860898 0.83 CES2 (0.50) CES2CES1MGAMAMY1AGAA
SCHEMBL9693756 0.83 CES2 (0.45) CES2CES1MGAMAMY1AGAA
SCHEMBL2581821 0.81 CES2 (0.48) CES2CES1MGAMAMY1AGAA
Hydrochloric Acid SCHEMBL9860906 0.81 CES2 (0.48) CES2CES1MGAMAMY1AGAA
SCHEMBL7744985 0.79 CES2 (0.70) CES2CES1BCHEMAP2K1ALDH1A1
SCHEMBL27911143 0.76 CES2 (0.44) CES2CES1MGAMAMY1AGAA
SCHEMBL8722551 0.76 CES2 (0.40) CES2CES1BCHETSHRSMN1; SMN2
SCHEMBL11258183 0.76 CES2 (0.52) CES2CES1BCHEMAP2K1ALDH1A1

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-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
EP-0269573-A2 Liquid photoinitiating mixture CIBA-GEIGY AG (CH) 1988-06-01 EP disclosed