SCHEMBL458446

SCHEMBL458446

O=C(OC1(C(=O)O)CC1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKM P14618 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLA2G7 Q13093 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL457830 0.84 RAB9A (0.44) CES2CES1NPC1RAB9APKM
SCHEMBL29277479 0.83 LMNA (0.50) CES2CES1KMT2AMEN1MAPT
SCHEMBL31000176 0.76 LMNA (0.47) CES2CES1KMT2AMEN1MAPT
SCHEMBL10481758 0.75 LMNA (0.45) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL28605211 0.75 LTA4H (0.43) CES2CES1NPC1RAB9ABCL2L1
SCHEMBL29730112 0.74 MAP4K4 (0.39) CES2CES1BCL2L1BADHSD11B1
SCHEMBL248548 0.71 CES2 (0.62) CES2CES1NPC1RAB9APKM
SCHEMBL775620 0.69 CES2 (0.59) CES2CES1NPC1RAB9APKM
SCHEMBL11127178 0.69 CES2 (0.59) CES2CES1NPC1RAB9APKM
SCHEMBL29277471 0.69 LMNA (0.47) NPC1RAB9APKMKMT2AMEN1

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
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed