SCHEMBL27760167

SCHEMBL27760167

NCC1(COc2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
AOC3 Q16853 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
KCNA3 P22001 1/20 0.39
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SCN4A P35499 2/20 0.35
MAOB P27338 3/20 0.35
AOC2 O75106 2/20 0.35
MAOA P21397 2/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL7269669 0.88 KCNA3 (0.44) TAAR1TDP1LTA4HKCNA3ALDH1A1
SCHEMBL4451944 0.81 LTA4H (0.41) TAAR1TDP1LTA4HKCNA3ALDH1A1
SCHEMBL476346 0.80 TDP1 (0.38) TAAR1TDP1KCNA3ALDH1A1RECQL
SCHEMBL7218155 0.77 THRB (0.38) TAAR1AOC3TDP1KCNA3ALDH1A1
SCHEMBL246844 0.76 TDP1 (0.54) TDP1ALDH1A1
SCHEMBL12453902 0.73 TAAR1 (0.47) TAAR1AOC3TDP1LTA4HPLA2G2A
SCHEMBL667989 0.73 KCNA3 (0.41) TAAR1TDP1LTA4HKCNA3ALDH1A1
SCHEMBL11013902 0.73 ALDH1A1 (0.42) TAAR1TDP1KCNA3ALDH1A1RECQL
SCHEMBL19091769 0.73 KCNA3 (0.41) TAAR1TDP1LTA4HKCNA3ALDH1A1
SCHEMBL3515342 0.72 TAAR1 (0.41) TAAR1AOC3TDP1LTA4HPLA2G2A

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
CN-101542043-A Hydrophobically modified poly [ ethylene glycol ] for pitch and stickies control in pulp and paper making processes HERCULES INC (US) 2009-09-23 CN disclosed