SCHEMBL8469882

SCHEMBL8469882

C1=C(C([C](c2ccccc2)c2ccccc2)C2=CCCCC2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TBXAS1 P24557 1/20 0.33
IDO1 P14902 1/20 0.33
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8526006 0.75 CES2 (0.52) NPSR1MEN1KMT2ATBXAS1MCL1
SCHEMBL10362582 0.75 NPSR1 (0.50) NPSR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL9806322 0.71 NPSR1 (0.39) NPSR1MEN1KMT2AIDO1TDP1
SCHEMBL29216098 0.69 TDP1 (0.39) NPSR1MEN1KMT2ATBXAS1MCL1
SCHEMBL9358257 0.69 NPSR1 (0.48) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9358264 0.69 NPSR1 (0.48) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL9358273 0.69 NPSR1 (0.48) NPSR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL15229060 0.69 NPSR1 (0.38) NPSR1MEN1KMT2AIDO1TDP1
SCHEMBL4653936 0.69 NPSR1 (0.38) NPSR1MEN1KMT2AIDO1TDP1
SCHEMBL29420224 0.69 NPSR1 (0.38) NPSR1MEN1KMT2AIDO1TDP1

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-0927187-A1 METAL COMPLEXES CONTAINING BRIDGED, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1999-07-07 EP disclosed
WO-1998003520-A1 METAL COMPLEXES CONTAINING BRIDGED, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1998-01-29 WO disclosed