SCHEMBL5322002

SCHEMBL5322002

Oc1ccccc1COCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
ATM Q13315 1/20 0.48
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL6153089 0.82 CYP2A13 (0.60) DRD1DRD4DRD5KDM4ETSHR
SCHEMBL23926333 0.80 SIGMAR1 (0.61) MEN1KMT2AKDM4ETSHRHRH3
SCHEMBL10454920 0.80 HRH3 (0.72) MEN1KMT2AKDM4ETSHRHRH3
SCHEMBL6152429 0.79 ALDH1A1 (0.53) KMT2ADRD1DRD4DRD5KDM4E
SCHEMBL21886975 0.78 LTA4H (0.65) MEN1KMT2ADRD1DRD4DRD5
SCHEMBL5321100 0.77 ATM (0.58) KMT2AATMKDM4ETSHRHRH3
SCHEMBL1854821 0.77 HTR1A (0.56) KDM4EHRH3
SCHEMBL27466067 0.76 ABCB1 (0.52) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL4327006 0.76 MPO (0.75) MEN1KMT2AKDM4ETSHRTDP1
SCHEMBL6153236 0.76 ALDH1A1 (0.52) DRD1DRD4DRD5KDM4EALDH1A1

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
WO-2007114672-A1 AGENT FOR THE PREVENTION AND TREATMENT OF METABOLIC BONE DISEASE BY ENHANCING OSTEOPROTEGERIN SECRETION OSCOTEC INC. (KR) 2007-10-11 WO disclosed