SCHEMBL8770747

SCHEMBL8770747

CCOc1c(S(C)(=O)=O)ccc(C(=O)c2c(OCc3ccccc3)ccnc2OCc2ccccc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPIA P62937 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
LRRK2 Q5S007 2/20 0.36
SGMS2 Q8NHU3 2/20 0.35
PTGER1 P34995 1/20 0.35
CCR8 P51685 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL8948356 0.74 NPSR1 (0.32) L3MBTL1MAPTCYP2C9
SCHEMBL8770613 0.74 IKBKB (0.37) L3MBTL1MAPTTDP1
SCHEMBL8770689 0.73 ALDH1A1 (0.32) L3MBTL1MAPT
SCHEMBL8465883 0.72 IKBKB (0.39) L3MBTL1MAPTSMN1; SMN2
SCHEMBL8464103 0.68 IKBKB (0.37) L3MBTL1MAPT
SCHEMBL8948445 0.67 ALDH1A1 (0.31) MAPT
SCHEMBL8881471 0.66 MRGPRX4 (0.49) L3MBTL1MAPTSMN1; SMN2PTGER1MRGPRX4
SCHEMBL8770756 0.66 L3MBTL1 (0.35) L3MBTL1MAPTPPIACNR1CNR2
SCHEMBL8461473 0.66 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL28709109 0.66 MAPT (0.69) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2

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-0796246-A1 3-BENZOYLPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1997-09-24 EP disclosed
US-5565413-A Substituted pyridyl phenyl ketone herbicides ZENECA LIMITED (GB) 1996-10-15 US disclosed