SCHEMBL9915277

SCHEMBL9915277

C=CCCCc1ccccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
FAAH O00519 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
HTR1A P08908 4/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
PRCP P42785 1/20 0.30
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL28533470 0.78 GABRA1 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL17310895 0.75 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ASPHKDM8
SCHEMBL7652615 0.74 NAAA (0.36) SLC6A2SLC6A4SLC6A3USP2SIGMAR1
SCHEMBL7653710 0.72 NAAA (0.36) SLC6A2SLC6A4SLC6A3USP2SIGMAR1
SCHEMBL7648243 0.72 PTGDR2 (0.39) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL2327234 0.72 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TDP1ASPH
SCHEMBL18448151 0.72 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TDP1ASPH
SCHEMBL29460381 0.72 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TDP1ASPH
SCHEMBL9614876 0.71 GABRA1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL18668719 0.71 KMT2A (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD

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-2012075277-A2 SYNTHETIC METHODS NOVOMER, INC. (US) 2012-06-07 WO disclosed