SCHEMBL4081256

SCHEMBL4081256

O=C(Nc1cccc(OC2CCN(C(=O)O)CC2)c1)c1ccccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMO Q99835 2/20 0.46
PGR P06401 1/20 0.46
GPR183 P32249 1/20 0.46
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
P2RX1 P51575 1/20 0.45
EPHX2 P34913 3/20 0.45
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM3 P20309 1/20 0.43
ABL1 P00519 2/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRKAA2 P54646 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL3297167 0.92 KDM4E (0.47) KDM4EGAASMOPGRGPR183
SCHEMBL3290021 0.92 KDM4E (0.48) KDM4EGAASMOPGRGPR183
SCHEMBL3290350 0.91 KDM4E (0.50) KDM4EGAASMOPGRGPR183
SCHEMBL3291818 0.91 GAA (0.48) KDM4EGAASMOPGRGPR183
SCHEMBL3295277 0.91 P2RX1 (0.47) KDM4EGAAP2RX1EPHX2NPC1
SCHEMBL4074915 0.90 APOB (0.51) KDM4EGAAEPHX2ALDH1A1
SCHEMBL13329218 0.90 NAMPT (0.46) KDM4EGAASMOPGRGPR183
SCHEMBL3291608 0.89 SMO (0.46) KDM4EGAASMOPGRGPR183
SCHEMBL3297168 0.89 GPR119 (0.47) KDM4EGAASMOPGRGPR183
SCHEMBL3295473 0.89 KDM4E (0.48) KDM4EGAASMOPGRGPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753721-B1 AROYL-O-PIPERIDINE DERIVATIVES FOR THE TREATMENT OF DIABETES-RELATED PROBLEMS MERCK PATENT GMBH (DE) 2009-08-05 EP claimed