SCHEMBL18674489

SCHEMBL18674489

CCN(CC(=O)O)Cc1cc(C)cc(CN(CCc2ccccc2)Cc2cc(C)cc(CN(CC(=O)O)CC(=O)O)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
OPRK1 P41145 5/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 4/20 0.41
DRD3 P35462 3/20 0.41
DRD2 P14416 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ACHE P22303 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL18674468 0.95 PPARG (0.46) PPARGPPARAOPRK1OPRM1OPRD1
SCHEMBL18677874 0.89 PPARG (0.43) PPARGPPARAOPRK1OPRM1OPRD1
SCHEMBL18674511 0.86 OPRK1 (0.41) PPARGPPARACA12CA1CA2
SCHEMBL18674466 0.81 PPARG (0.41) PPARGPPARAOPRK1OPRM1OPRD1
SCHEMBL11303647 0.80 TDP1 (0.38) DRD3L3MBTL1KDM4ELMNACHRM2
SCHEMBL11306734 0.78 TDP1 (0.37) PPARGPPARADRD3L3MBTL1KDM4E
SCHEMBL14496261 0.75 TDP1 (0.43) KDM4EMEN1LMNAKMT2A
SCHEMBL13939569 0.75 FFAR1 (0.41) PPARGPPARAL3MBTL1
SCHEMBL5337605 0.73 LMNA (0.55) CA12CA1CA2L3MBTL1ACHE
SCHEMBL2443821 0.73 KEAP1 (0.54) CA12CA1CA2OPRK1OPRM1

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
US-20170089913-A1 NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES RADIOMETER TURKU OY (FI) 2017-03-30 US disclosed