SCHEMBL8626320

SCHEMBL8626320

CCOC(=O)C(=CN(c1ccc(F)c(Cl)c1)C1CC1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGIR P43119 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
POLQ O75417 3/20 0.37
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 2/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8645991 0.89 MEN1 (0.41) ALDH1A1LMNAPTGIRKMT2AMAPT
SCHEMBL8628963 0.82 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL25069399 0.82 NPSR1 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL8625558 0.79 KMT2A (0.40) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL10378209 0.78 MAPT (0.44) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL8624620 0.78 TACR1 (0.38) ALDH1A1LMNASMN1; SMN2PTGIRKMT2A
SCHEMBL8627403 0.78 TACR1 (0.38) ALDH1A1LMNASMN1; SMN2PTGIRKMT2A
SCHEMBL7844242 0.78 MEN1 (0.40) LMNAKMT2AMAPTNPSR1CYP2C9
SCHEMBL6651194 0.78 MAPT (0.39) ALDH1A1LMNAKMT2AMAPTNPSR1
SCHEMBL262000 0.77 MAPT (0.38) ALDH1A1LMNASMN1; SMN2KMT2AMAPT

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