SCHEMBL8625478

SCHEMBL8625478

CCOC(=O)C(=CN(CCF)c1ccc(F)c(F)c1F)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 2/20 0.35
GAA P10253 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLIN1 O60240 1/20 0.33
POLB P06746 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8622781 0.88 KMT2A (0.43) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL10741464 0.84 MEN1 (0.34) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL10656978 0.79 KMT2A (0.42) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL8625558 0.77 KMT2A (0.40) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL8628239 0.76 NPSR1 (0.37) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL8625377 0.76 NPSR1 (0.37) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL27345346 0.72 MAPT (0.41) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL10530369 0.72 MAPT (0.36) KMT2AMAPTMEN1NPSR1LMNA
SCHEMBL8621652 0.72 EPHX2 (0.35) LMNAALDH1A1
SCHEMBL8625380 0.71 MAPT (0.30) KMT2AMAPTMEN1NPSR1LMNA

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