SCHEMBL13660801

SCHEMBL13660801

CCN(CCN1CCC(O)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
CCR5 P51681 7/20 0.48
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13660806 0.89 OPRM1 (0.47) OPRM1CCR5LMNASIGMAR1BCHE
SCHEMBL13661596 0.85 SIGMAR1 (0.46) KDM4ESIGMAR1NPC1RAB9A
SCHEMBL13660815 0.83 HTR7 (0.44) CCR5SIGMAR1
SCHEMBL13660817 0.79 KDM4E (0.52) KDM4EMEN1KMT2ASIGMAR1BCHE
SCHEMBL13661448 0.79 SIGMAR1 (0.46) CCR5KDM4ESIGMAR1NPC1RAB9A
SCHEMBL13661141 0.78 NPC1 (0.49) KDM4EMEN1KMT2ASIGMAR1NPC1
SCHEMBL18594775 0.77 CCR6 (0.52) LMNATSHRKMT2A
SCHEMBL16665613 0.76 ALDH1A1 (0.58) MEN1LMNATSHRKMT2ANPC1
SCHEMBL13661589 0.76 CCR6 (0.51) SIGMAR1
SCHEMBL13661335 0.76 CCR6 (0.51) OPRM1KDM4EMEN1TSHRKMT2A

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