SCHEMBL6916063

SCHEMBL6916063

Cc1ccccc1C1(c2ccccc2C)OC(=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.69
MAPT P10636 6/20 0.69
NPSR1 Q6W5P4 5/20 0.69
POLB P06746 3/20 0.69
GPR55 Q9Y2T6 2/20 0.69
ALOX12 P18054 1/20 0.69
CFTR P13569 1/20 0.61
GOPC Q9HD26 1/20 0.61
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 5/20 0.56
CYP2C19 P33261 4/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
TP53 P04637 2/20 0.56
ALOX15 P16050 2/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL20580045 0.87 LMNA (0.59) LMNAMAPTNPSR1POLBGPR55
SCHEMBL30772290 0.86 CFTR (0.73) LMNAMAPTNPSR1POLBGPR55
SCHEMBL3949342 0.86 CFTR (0.73) LMNAMAPTNPSR1POLBGPR55
SCHEMBL7805702 0.82 MAPT (1.00) LMNAMAPTNPSR1POLBGPR55
SCHEMBL31376524 0.82 TDP1 (0.62) LMNAMAPTNPSR1POLBGPR55
SCHEMBL8156691 0.81 POLB (0.64) LMNAMAPTNPSR1POLBGPR55
SCHEMBL17105828 0.81 CFTR (0.61) LMNAMAPTNPSR1POLBGPR55
SCHEMBL7515313 0.80 LMNA (0.55) LMNAMAPTNPSR1POLBGPR55
SCHEMBL14364370 0.80 MAPT (0.62) LMNAMAPTNPSR1POLBGPR55
SCHEMBL11849025 0.80 MAPT (0.51) LMNAMAPTNPSR1POLBGPR55

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
US-6617123-B1 Contacting sample with mixture of an esterase, a pH indicator dye and a buffer; colorimetric analysis; easy, convenient test strips SMITH JACK V (US) 2003-09-09 US claimed
US-20040121420-A1 Method for detection of 4-hydroxybutyric acid and its precursor(s) in fluids SMITH JACK V (US) 2004-06-24 US disclosed
EP-1400574-A1 Colour changing paint Akzo Nobel Decorative Coatings Ltd. (GB) 2004-03-24 EP disclosed
US-6617123-B1 Contacting sample with mixture of an esterase, a pH indicator dye and a buffer; colorimetric analysis; easy, convenient test strips SMITH JACK V (US) 2003-09-09 US disclosed