SCHEMBL4964051

SCHEMBL4964051

CCCCOC(=O)NCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2N(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 7/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 2/20 0.36

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
SCHEMBL3293923 0.85 P2RY14 (0.39) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL4544182 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL4544174 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3288612 0.80 DDB1 (0.43) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL14019651 0.79 CNR2 (0.40) KDM4EPPARGPPARALMNAHTT
SCHEMBL4030026 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL13799088 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL14019666 0.78 CNR2 (0.42) PPARGPPARACNR2
SCHEMBL5005805 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL3292992 0.78 P2RY14 (0.38) KDM4EALDH1A1HPGDTSHRRAB9A

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-1879903-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2008-01-23 EP disclosed
WO-2006120541-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-11-16 WO disclosed