SCHEMBL8601305

SCHEMBL8601305

C=CCOc1cc(-c2ccc(CCCCCC(C)F)cc2)ccc1-c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
PTAFR P25105 3/20 0.33
LTA4H P09960 1/20 0.32
PGR P06401 1/20 0.31
POLB P06746 1/20 0.31
SQOR Q9Y6N5 1/20 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
SCHEMBL8603690 0.90 SQOR (0.38) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL8599817 0.85 PORCN (0.34) PTAFRLTA4HPOLB
SCHEMBL8602905 0.84 PTAFR (0.37) PTAFRPOLB
SCHEMBL8600729 0.82 KDM4E (0.32) PTAFRLTA4H
SCHEMBL8602158 0.82 KDM4E (0.32) SQOR
SCHEMBL8602621 0.81 SQOR (0.31) SQOR
SCHEMBL8604338 0.80 CYP11B1 (0.42) PTAFRLTA4HPOLB
SCHEMBL7556418 0.79 CYP2D6 (0.39) POLB
SCHEMBL8598085 0.79 CYP2D6 (0.39) POLB
SCHEMBL8598821 0.79 LTA4H (0.35) LTA4HPGR

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-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed