SCHEMBL6552391

SCHEMBL6552391

CCC(CC)C(CC)(CC)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP19A1 P11511 2/20 0.42
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MIF P14174 1/20 0.34
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL6552914 0.78 KCNN4 (0.40) MEN1KMT2AMAPK1LMNAGRIN2D
SCHEMBL14149500 0.70 CYP19A1 (0.70) MEN1KMT2ANPSR1CYP19A1HTT
SCHEMBL12157084 0.70 CYP19A1 (0.48) MEN1KMT2ANPSR1CYP19A1HTT
SCHEMBL4352232 0.69 MEN1 (0.52) MEN1KMT2ANPSR1CYP19A1TSHR
SCHEMBL4787209 0.69 MEN1 (0.52) MEN1KMT2ANPSR1CYP19A1TSHR
SCHEMBL6280416 0.69 KMT2A (0.52) MEN1KMT2ANPSR1CYP19A1TSHR
SCHEMBL14395067 0.69 CYP19A1 (0.47) MEN1KMT2ANPSR1CYP19A1TSHR
SCHEMBL13930871 0.69 MEN1 (0.52) MEN1KMT2ANPSR1CYP19A1TSHR
SCHEMBL6552393 0.68 SMN1; SMN2 (0.41) MEN1KMT2ANPSR1CYP19A1POLB
SCHEMBL13749516 0.67 CYP19A1 (0.46) MEN1KMT2ANPSR1CYP19A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485106-A2 PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2004-12-15 EP claimed
WO-2003070179-A2 PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-08-28 WO claimed
EP-1485106-A2 PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2004-12-15 EP disclosed
WO-2003070179-A2 PHOSPHONATE-PHOSPHATE AND DIPHOSPHONATE APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-08-28 WO disclosed