SCHEMBL12533973

SCHEMBL12533973

c1cnc2c(C3CC(c4cc(C5CC(c6cccc7cccnc67)CC(c6cccc7cccnc67)C5)cc(C5CC(c6cccc7cccnc67)CC(c6cccc7cccnc67)C5)c4)CC(c4cccc5cccnc45)C3)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
MMP2 P08253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
MMP8 P22894 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 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
SCHEMBL12533961 0.93 TSHR (0.52) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL12533960 0.93 TSHR (0.52) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL12533957 0.93 TSHR (0.52) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL12533959 0.93 TSHR (0.52) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL12533966 0.88 TSHR (0.47) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL12533969 0.86 TSHR (0.45) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL12533968 0.86 TSHR (0.45) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL31389895 0.83 TSHR (0.47) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL867710 0.82 LMNA (0.52) TSHRMMP2KDM4ECCR1CCR5
SCHEMBL22288175 0.77 ALDH1A1 (0.49) TSHRMMP2KDM4ECCR1CCR5

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
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed