SCHEMBL17469000

SCHEMBL17469000

CCN1Cc2ccccc2OC(c2ccc(OC)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP19A1 P11511 2/20 0.41
CYP3A4 P08684 1/20 0.41
ABCB1 P08183 1/20 0.41
AR P10275 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LTA4H P09960 1/20 0.40
SLC6A4 P31645 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL17469165 0.96 MAOB (0.47) MAOBMAPTNPC1RAB9AGABRA1
SCHEMBL17459422 0.87 LMNA (0.48) MAOBMAPTNPC1RAB9ACYP19A1
SCHEMBL17469027 0.87 MAOB (0.42) MAOBCYP19A1ARLTA4HSLC6A4
SCHEMBL17468345 0.87 MAOB (0.42) MAOBCYP19A1ARLTA4HSLC6A4
SCHEMBL17459303 0.85 LTA4H (0.38) MAOBLTA4HSLC6A4
SCHEMBL17459409 0.85 SLC6A2 (0.40) LTA4HSLC6A4
SCHEMBL17459277 0.85 LTA4H (0.38) MAOBMAPTLTA4HSLC6A4
SCHEMBL17459309 0.85 LTA4H (0.40) MAOBRAB9ACYP19A1ARLTA4H
SCHEMBL17459287 0.85 LTA4H (0.38) MAOBLTA4HSLC6A4
SCHEMBL17459470 0.82 LTA4H (0.40) MAPTNPC1RAB9ATDP1LTA4H

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed