SCHEMBL6891987

SCHEMBL6891987

COc1ccc2c(c1-c1ccccc1)[CH]c1ccccc1S2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
GPR84 Q9NQS5 5/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BCHE P06276 3/20 0.32
ACHE P22303 2/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL4723230 0.74 ALDH1A1 (0.43) FABP3FABP4FABP5MAPTKDM4E
SCHEMBL6891983 0.73 GPR84 (0.45) GPR84ALDH1A1BCHE
SCHEMBL9236001 0.72 ALOX5 (0.37) FABP3FABP4FABP5MAPTKDM4E
SCHEMBL29242179 0.70 NOX1 (0.49) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL1127626 0.69 TRPA1 (0.39) GPR84ALDH1A1TRPA1
SCHEMBL355567 0.69 CA1 (0.57) FABP3FABP4FABP5MAPTKDM4E
Hydrochloric Acid SCHEMBL30310852 0.67 CA1 (0.55) FABP3FABP4FABP5MAPTKDM4E
Benzene SCHEMBL28977457 0.67 CA1 (0.55) FABP3FABP4FABP5MAPTKDM4E
Water SCHEMBL28136778 0.67 CA1 (0.55) FABP3FABP4FABP5MAPTKDM4E
Phosphine SCHEMBL27891320 0.67 CA1 (0.55) FABP3FABP4FABP5MAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412752-A4 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI Q INC (US) 2004-09-29 EP disclosed
WO-2003003014-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI Q INC (US) 2004-05-13 WO disclosed
EP-1412752-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI-Q, Inc. (US) 2004-04-28 EP disclosed
WO-2003003014-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI-Q, INC. (US) 2003-01-09 WO disclosed