SCHEMBL13660817

SCHEMBL13660817

CCN(CCCCN1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
NPY1R P25929 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CCR6 P51684 1/20 0.49
PAX8 Q06710 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 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
SCHEMBL13661141 0.94 NPC1 (0.49) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL13661596 0.89 SIGMAR1 (0.46) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL21120476 0.89 SMN1; SMN2 (0.55) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL13661326 0.84 CCR6 (0.48) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL13661586 0.84 NPC1 (0.48) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL13661448 0.83 SIGMAR1 (0.46) KDM4EALDH1A1NPY1RNPC1RAB9A
SCHEMBL13660815 0.83 HTR7 (0.44) SIGMAR1HRH3
SCHEMBL13661335 0.81 CCR6 (0.51) KDM4EALDH1A1CCR6PAX8MEN1
SCHEMBL9942494 0.80 CCR6 (0.57) ALDH1A1L3MBTL1CCR6PAX8KMT2A
SCHEMBL4283767 0.79 HRH3 (0.56) KDM4EALDH1A1NPY1RNPC1RAB9A

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-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed