SCHEMBL46058

SCHEMBL46058

CON1CCC(N)(N(C)C(=O)Cc2cc(C)ccc2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
COMT P21964 1/20 0.34
POLB P06746 1/20 0.34
MAPK8 P45983 1/20 0.34
KMT2A Q03164 3/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MDM2 Q00987 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
SCHEMBL46336 0.91 MAPT (0.35) ALDH1A1COMTKMT2AMEN1GAA
SCHEMBL12574766 0.89 COMT (0.33) KDM4EALDH1A1HPGDHTTCOMT
SCHEMBL46394 0.89 COMT (0.34) KDM4EALDH1A1HPGDHTTCOMT
SCHEMBL19139664 0.88 POLB (0.35) KDM4EALDH1A1HPGDHTTCOMT
SCHEMBL46128 0.87 L3MBTL1 (0.34) POLBL3MBTL1
SCHEMBL19956367 0.84 KMT2A (0.33) HPGDPOLBMAPK8KMT2AFFAR4
SCHEMBL37485 0.84 OPRM1 (0.35) POLBMAPK8KMT2AMEN1SMN1; SMN2
SCHEMBL15032133 0.84 MAPK8 (0.36) KDM4EALDH1A1HPGDHTTCOMT
SCHEMBL12071754 0.83 SIGMAR1 (0.33) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL46350 0.83 TSHR (0.31) SMN1; 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
WO-2011151249-A2 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2010066780-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-17 WO disclosed