SCHEMBL7086465

SCHEMBL7086465

CC(C)CCC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR119 Q8TDV5 5/20 0.45
EPHX1 P07099 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
NAMPT P43490 1/20 0.42
HPGD P15428 1/20 0.42
GLS O94925 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TGFBR1 P36897 1/20 0.41

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
SCHEMBL6150181 0.87 KDM4E (0.58) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL3098100 0.83 KDM4E (0.62) KDM4EPKMGPR119EPHX1FPR3
SCHEMBL7754715 0.82 KDM4E (0.59) KDM4EPKMALDH1A1GPR119EPHX1
SCHEMBL6157052 0.82 KDM4E (0.56) KDM4EPKMGPR119EPHX1FPR3
SCHEMBL19652088 0.82 KDM4E (0.60) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL3050761 0.82 KDM4E (0.60) KDM4EPKMGPR119EPHX1FPR3
SCHEMBL31117959 0.82 KDM4E (0.60) KDM4EPKMGPR119EPHX1FPR3
SCHEMBL104607 0.81 HPGD (0.50) KDM4EPKMALDH1A1NPC1MAPT
SCHEMBL6402066 0.81 KDM4E (0.59) KDM4EPKMGPR119EPHX1FPR3
SCHEMBL24853346 0.80 KDM4E (0.64) KDM4EPKMEPHX1FPR3FPR2

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-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO disclosed