SCHEMBL8624142

SCHEMBL8624142

CCOC(=O)/C=C(\C(=O)OCC)N(CC)c1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.39
MAPT P10636 7/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL8622855 1.00 NPSR1 (0.39) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8625377 0.90 NPSR1 (0.37) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8628239 0.90 NPSR1 (0.37) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8622686 0.81 NPSR1 (0.35) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8626616 0.81 NPSR1 (0.35) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8624667 0.80 NPSR1 (0.39) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8621807 0.80 NPSR1 (0.39) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL8628786 0.77 ALDH1A1 (0.40) NPSR1MAPTKMT2ALMNATDP1
SCHEMBL8627774 0.77 ALDH1A1 (0.40) NPSR1MAPTKMT2ALMNATDP1
SCHEMBL9128725 0.74 MAPT (0.32) NPSR1MAPTKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684942-B1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORP (US) 1998-06-10 EP disclosed
EP-0684942-A4 1995-12-27 EP disclosed
EP-0684942-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1995-12-06 EP disclosed
US-5430152-A Heating aminoarylester in presence of chlorosulfonic acid, oleum HOECHST CELANESE CORPORATION (US) 1995-07-04 US disclosed
WO-1994019312-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1994-09-01 WO disclosed