SCHEMBL2868596

SCHEMBL2868596

CSCC(=O)O[C@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
PGR P06401 4/20 0.44
NR3C1 P04150 4/20 0.44
HIF1A Q16665 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
MAPT P10636 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HPGD P15428 1/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
HTT P42858 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR3C2 P08235 7/20 0.43

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
SCHEMBL2868598 1.00 AR (0.50) ARPGRNR3C1HIF1AKMT2A
SCHEMBL2823012 0.91 PGR (0.54) ARPGRNR3C1HIF1AKMT2A
SCHEMBL508132 0.78 NR3C2 (0.71) ARPGRNR3C1HIF1AKMT2A
SCHEMBL508131 0.78 NR3C2 (0.71) ARPGRNR3C1HIF1AKMT2A
SCHEMBL10716868 0.78 PGR (0.53) ARPGRNR3C1HIF1AKMT2A
SCHEMBL5697475 0.77 NR3C1 (0.46) ARPGRNR3C1HIF1AKMT2A
SCHEMBL4557359 0.76 AR (0.47) ARPGRNR3C1HIF1AKMT2A
SCHEMBL4557358 0.76 AR (0.47) ARPGRNR3C1HIF1AKMT2A
SCHEMBL23645479 0.73 HSD17B10 (0.69) ARPGRNR3C1HIF1AKMT2A
SCHEMBL3464883 0.73 HSD17B10 (0.69) ARPGRNR3C1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834219-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE Almirall S.A. (ES) 2015-02-11 EP claimed
WO-2013149959-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2013-10-10 WO claimed
EP-2834219-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE Almirall S.A. (ES) 2015-02-11 EP disclosed
WO-2013149959-A1 SALTS OF 5-[(1R)-2-({2-[4-(2,2-DIFLUORO-2-PHENYLETHOXY)PHENYL]ETHYL}AMINO)-1-HYDROXYETHYL]-8-HYDROXYQUINOLIN-2(1H)-ONE ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed
WO-2012069175-A1 NEW PYRAZOLE DERIVATIVES HAVING CRTH2 ANTAGONISTIC BEHAVIOUR ALMIRALL, S.A. (ES) 2012-05-31 WO disclosed
EP-2398772-A1 5- (2-{ Ý6- (2, 2-DIFLUORO-2-PHENYLETHOXY) HEXYL¨AMINO}-L-HYDROXYETHYL) -8-HYDROXYQUIN OLIN-2 (1H)-ONE AND ITS USE IN THE TREATMENT OF PULMONARY DISEASES Almirall S.A. (ES) 2011-12-28 EP disclosed
WO-2010094484-A1 5- (2-{ [6- (2, 2-DIFLUORO-2-PHENYLETHOXY) HEXYL] AMINO}-L-HYDROXYETHYL) -8-HYDROXYQUIN OLIN-2 (1H)-ONE AND ITS USE IN THE TREATMENT OF PULMONARY DISEASES ALMIRALL, S.A. (ES) 2010-08-26 WO disclosed
WO-2010094483-A1 5- (2-{ [6- (2, 2-DIFLUORO-2-PHENYLETHOXY) HEXYL] AMINO} -1-HYDROXYETHYL) -8-HYDROXYQUINOLIN-2 (IH)-ONE FOR THE TREATMENT OF LUNG FUNCTION ALMIRALL, S.A. (ES) 2010-08-26 WO disclosed