SCHEMBL20052995

SCHEMBL20052995

COc1cccc(C2CC(O)CCO2)c1C1CO1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.37
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
PTPN1 P18031 2/20 0.33
PPARD Q03181 2/20 0.33
HTR2B P41595 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL20052967 0.84 HTR1A (0.37) POLLHTR2CHTR2AHTR2BMEN1
SCHEMBL20052932 0.80 OPRM1 (0.32) HTR2CHTR2AHTR2BADRA2AADRA1A
SCHEMBL20052998 0.79 CTSB (0.32)
SCHEMBL21850006 0.76 SLC6A2 (0.32) KMT2ASLC6A2SLC6A4
SCHEMBL20053013 0.73
SCHEMBL9303942 0.70 ACHE (0.45) SLC6A2SLC6A4
SCHEMBL29041073 0.70 HTR2C (0.51) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL17710161 0.69 KDM4E (0.44)
SCHEMBL9301911 0.69 CA1 (0.39) HTR2ASLC6A2SLC6A4
SCHEMBL9302902 0.69 TTR (0.40) MEN1KMT2ASLC6A2SLC6A4

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-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed