SCHEMBL6163401

SCHEMBL6163401

CC(OCc1cccc(C#N)c1)Oc1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MAOB P27338 4/20 0.42
GLA P06280 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
MAOA P21397 2/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ADAM17 P78536 1/20 0.36
KCNH2 Q12809 1/20 0.35
GRM5 P41594 2/20 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
SCHEMBL5281523 0.82 FFAR1 (0.51) FFAR1FFAR4MAOBGLAADAMTS4
SCHEMBL17784702 0.80 GLA (0.49) FFAR1FFAR4MAOBGLAMAOA
SCHEMBL1228846 0.75 GLA (0.48) FFAR1FFAR4MAOBGLAADAMTS4
SCHEMBL5290604 0.75 GLA (0.43) FFAR1FFAR4MAOBGLAADAMTS4
SCHEMBL2961510 0.72 CYP2A6 (0.46) MAOBMAOAMAPTKCNH2
SCHEMBL800275 0.70 GLA (0.54) FFAR1FFAR4MAOBGLAADAMTS4
SCHEMBL5691423 0.68 AR (0.56) FFAR1FFAR4
SCHEMBL24637979 0.67 GLA (0.55) FFAR1FFAR4MAOBGLACNR1
SCHEMBL3116723 0.67 DAO (0.43) ALDH1A1MAPT
SCHEMBL20187649 0.67 HRH3 (0.40) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed