SCHEMBL7053519

SCHEMBL7053519

O=C(N[Ti](Cl)(Cl)(Cl)NC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HSD11B1 P28845 2/20 0.46
EPHX1 P07099 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.39
P2RX7 Q99572 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
SCHEMBL5520084 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL5511001 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL14823812 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL14823816 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL5527291 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL23192018 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL5515422 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL293980 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL9650239 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2
SCHEMBL5525101 0.73 HDAC8 (0.61) HDAC8HDAC6HSD11B1EPHX1CES2

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-2003029256-A1 BULKY AMIDO GROUP SUBSTITUTED GROUP 4 METAL COMPOUNDS AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-04-10 WO disclosed