SCHEMBL8624946

SCHEMBL8624946

CCOC(=O)C(=CN(CC)c1ccc(F)c(F)c1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
DHODH Q02127 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PLIN1 O60240 1/20 0.35
POLB P06746 1/20 0.35
PLIN5 Q00G26 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35

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
SCHEMBL8628963 0.88 ALDH1A1 (0.43) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL8645991 0.81 MEN1 (0.41) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL8622781 0.78 KMT2A (0.43) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL11634465 0.74 MEN1 (0.35) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL8624667 0.73 NPSR1 (0.39) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL8621807 0.73 NPSR1 (0.39) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL28802321 0.73 TSHR (0.52) KMT2ALMNANPSR1HTTHPGD
SCHEMBL23857134 0.70 MEN1 (0.36) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL10530369 0.70 MAPT (0.36) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL30047250 0.70 MEN1 (0.36) MAPTMEN1KMT2ALMNANPSR1

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