SCHEMBL18334248

SCHEMBL18334248

O=C(I)CC1CCCOC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
FEN1 P39748 1/20 0.33
NAMPT P43490 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
BRD4 O60885 1/20 0.32
PDE8B O95263 1/20 0.31
MGLL Q99685 1/20 0.30
DRD2 P14416 4/20 0.30
HTR2A P28223 4/20 0.30
DRD3 P35462 4/20 0.30

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
SCHEMBL20123968 0.88
SCHEMBL12081534 0.82 SLC6A12 (0.39) HPGDFEN1NAMPTBRD4PDE8B
SCHEMBL2201489 0.82 SLC6A12 (0.39) HPGDFEN1NAMPTBRD4PDE8B
SCHEMBL12080316 0.82 SLC6A12 (0.39) HPGDFEN1NAMPTBRD4PDE8B
SCHEMBL14689835 0.80 ALOX5 (0.34) HPGDFEN1NAMPTPSEN1PSEN2
SCHEMBL20835098 0.80 BRD4 (0.34) HPGDFEN1NAMPTBRD4PDE8B
SCHEMBL10549973 0.80 HPGD (0.33) HPGDFEN1NAMPTPSEN1PSEN2
SCHEMBL3651504 0.80 ALOX5 (0.34) HPGDFEN1NAMPTPSEN1PSEN2
SCHEMBL14689816 0.80 ALOX5 (0.34) HPGDFEN1NAMPTPSEN1PSEN2
SCHEMBL1192557 0.76

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-2016205202-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. (US) 2016-12-22 WO disclosed