SCHEMBL1821397

SCHEMBL1821397

[CH]1C=C(c2cccc3ccccc23)C=C(c2cccc3ccccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
PTPN1 P18031 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 4/20 0.33
LMNA P02545 1/20 0.33
GALR1 P47211 1/20 0.33
ALDH1A1 P00352 6/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP2A6 P11509 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1029739 0.82 SLC6A3 (0.40) SLC6A3PTPN1NISCHKDM4EALPL
SCHEMBL1681365 0.73 SLC6A3 (0.46) SLC6A3PTPN1NISCHKDM4EALPL
SCHEMBL5696379 0.69 SLC6A3 (0.41) SLC6A3PTPN1NISCHKDM4EALPL
SCHEMBL6242909 0.68 SLC6A3 (0.40) SLC6A3PTPN1NISCHKDM4EALPL
SCHEMBL7918659 0.67 ALDH1A1 (0.42) PTPN1NISCHKDM4EALPLGAA
SCHEMBL25302086 0.67 ALDH1A1 (0.59) PTPN1NISCHKDM4EALPLGAA
SCHEMBL29350007 0.67 ALDH1A1 (0.59) PTPN1NISCHKDM4EALPLGAA
SCHEMBL27953 0.67 ALDH1A1 (0.59) PTPN1NISCHKDM4EALPLGAA
SCHEMBL7166811 0.66 SLC6A3 (0.44) SLC6A3PTPN1NISCHKDM4EALPL
SCHEMBL17836548 0.65 ALDH1A1 (0.56) PTPN1NISCHKDM4EALPLGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536735-A1 METAL-LIGAND COMPLEXES AND CATALYSTS Dow Global Technologies LLC (US) 2012-12-26 EP disclosed
EP-2536770-A2 PROCESS FOR POLYMERIZING AN OLEFIN MONOMER AND CATALYST THEREFOR Dow Global Technologies LLC (US) 2012-12-26 EP disclosed
WO-2011102989-A1 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-08-25 WO disclosed
WO-2011102990-A2 PROCESS FOR POLYMERIZING AN OLEFIN MONOMER AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2011-08-25 WO disclosed
EP-2315788-A2 METAL-LIGAND COMPLEXES AND CATALYSTS Dow Global Technologies LLC (US) 2011-05-04 EP disclosed
WO-2010022228-A2 METAL-LIGAND COMPLEXES AND CATALYSTS DOW GLOBAL TECHNOLOGIES, INC. (US) 2010-02-25 WO disclosed