SCHEMBL7823671

SCHEMBL7823671

CC(C)CC(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
ALDH1A1 P00352 1/20 0.71
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 3/20 0.55
HTT P42858 2/20 0.54
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
STAT3 P40763 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.48
KCNMA1 Q12791 1/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28745633 0.88 MAPT (0.70) MAPTALDH1A1MEN1PKMKMT2A
SCHEMBL7823365 0.85 MAPT (0.77) MAPTALDH1A1MEN1PKMKMT2A
SCHEMBL6129750 0.84 CRHBP (0.57) MAPTALDH1A1MAPK1HTTGAA
SCHEMBL21626406 0.84 CRHBP (0.57) MAPTALDH1A1MAPK1HTTGAA
SCHEMBL6129749 0.84 CRHBP (0.57) MAPTALDH1A1MAPK1HTTGAA
SCHEMBL7064305 0.81 ALDH1A1 (0.50) MAPTALDH1A1MEN1PKMKMT2A
SCHEMBL124856 0.81 MAPT (0.70) MAPTALDH1A1MEN1PKMKMT2A
SCHEMBL115470 0.81 MAPT (0.70) MAPTALDH1A1MEN1PKMKMT2A
SCHEMBL7455626 0.80 MAPT (0.66) MAPTALDH1A1MEN1PKMKMT2A
SCHEMBL31551021 0.80 MAPT (0.57) MAPTALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed