SCHEMBL2594739

SCHEMBL2594739

CCCn1cc(C(=O)O)c(C(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KLKB1 P03952 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
PPARA Q07869 1/20 0.32
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL1871681 0.87 L3MBTL1 (0.40) L3MBTL1KLKB1ALDH1A1KMT2ANR1H4
SCHEMBL21723727 0.84 KLKB1 (0.38) KLKB1ALDH1A1KMT2ANR1H4KDM4C
SCHEMBL1275235 0.82 KLKB1 (0.37) L3MBTL1KLKB1ALDH1A1NR1H4
SCHEMBL20141 0.82 IRAK4 (0.35) KLKB1KMT2AMEN1
SCHEMBL27505840 0.81 KLKB1 (0.37) L3MBTL1KLKB1ALDH1A1KMT2ANR1H4
Hydrochloric Acid SCHEMBL1032497 0.80 IRAK4 (0.34) KLKB1KMT2AMEN1
Hydrochloric Acid SCHEMBL8932295 0.80 IRAK4 (0.34) KLKB1KMT2AMEN1
SCHEMBL28726067 0.80 IRAK4 (0.35) KLKB1KMT2AMEN1
SCHEMBL6051983 0.77 KLKB1 (0.34) KLKB1NR1H4
SCHEMBL14811911 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011131615-A1 PROCESS FOR PREPARING 5-FLUORO-1-ALKYL-3-FLUOROALKYL-1H-PYRAZOLE-4-CARBONYL CHLORIDES AND FLUORIDES BAYER CROPSCIENCE AG (DE) 2011-10-27 WO disclosed