SCHEMBL8699459

SCHEMBL8699459

[c]1ccccc1OCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
TDO2 P48775 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL6238419 0.76 JAK2 (0.33)
SCHEMBL8699463 0.75 PPARG (0.47) HTR2APPARGPPARACA1CA2
SCHEMBL4778663 0.75 IDO1 (0.38)
SCHEMBL2008537 0.73 KCNH2 (0.32)
SCHEMBL2458787 0.73
SCHEMBL20138462 0.72 MEN1 (0.43)
SCHEMBL8217123 0.72 KMT2A (0.33)
SCHEMBL4722102 0.70 GPR3 (0.32) HTR2A
SCHEMBL5353138 0.70 HTR2A (0.64) HTR2ACA1CA2TDO2HRH3
SCHEMBL348920 0.70 ALDH1A1 (0.48)

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-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed