SCHEMBL8770756

SCHEMBL8770756

CCOC1=C(C)C(C(=O)c2c(OCc3ccccc3)ccnc2OCc2ccccc2)=CC(=S(=O)=O)C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
PPIA P62937 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
FOLH1 Q04609 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ACACB O00763 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
APP P05067 1/20 0.31
SGMS2 Q8NHU3 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
SCHEMBL8770747 0.66 L3MBTL1 (0.41) L3MBTL1CNR1CNR2MRGPRX4PPIA
SCHEMBL4126151 0.62 POLB (0.50) L3MBTL1ALDH1A1PKMPPIAKDM4E
SCHEMBL31517916 0.62 PPIA (0.48) L3MBTL1ALDH1A1PKMPPIAKDM4E
SCHEMBL16039465 0.61 HPGD (0.56) L3MBTL1ALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL16054767 0.60 AOC3 (0.46) L3MBTL1ALDH1A1PKMMRGPRX4KDM4E
SCHEMBL8881471 0.60 MRGPRX4 (0.49) L3MBTL1ALDH1A1MRGPRX4KDM4ELMNA
SCHEMBL27870706 0.60 LMNA (0.48) L3MBTL1ALDH1A1PKMPPIALMNA
SCHEMBL29290711 0.60 BRD4 (0.46) L3MBTL1CNR1CNR2ALDH1A1PPIA
SCHEMBL7720531 0.58 LTA4H (0.49) L3MBTL1CNR1CNR2ALDH1A1LMNA
SCHEMBL29013146 0.57 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1LMNAMAPT

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
EP-0796246-A1 3-BENZOYLPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1997-09-24 EP disclosed