SCHEMBL7005583

SCHEMBL7005583

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1C[SiH2]CC1C(C)=Cc2c(-c3ccc4ccccc4c3)cccc21.Cl[Zr]Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HSD11B1 P28845 1/20 0.32
DHFR P00374 1/20 0.32
MET P08581 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL6234917 0.96 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL8408185 0.93 GSTP1 (0.33) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL21963541 0.85 PDCD1 (0.33)
SCHEMBL7006278 0.82 GSTP1 (0.35) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL1241178 0.81 PDCD1 (0.36)
SCHEMBL6648872 0.80 DRD1 (0.35) MET
SCHEMBL20338970 0.80 BRD4 (0.33)
SCHEMBL7188594 0.80 GSTP1 (0.35) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL27512111 0.80 GSTP1 (0.35) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL3997096 0.79 PDCD1 (0.35)

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-1315858-A1 POLYPROPYLENE FIBERS AND FABRICS Exxonmobil Chemical Patents Inc. (US) 2003-06-04 EP disclosed
EP-1313782-A1 POLYPROPYLENE POLYMERS Exxonmobil Chemical Patents Inc. (US) 2003-05-28 EP disclosed
WO-2002016681-A1 POLYPROPYLENE FIBERS AND FABRICS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-02-28 WO disclosed
WO-2002016455-A1 POLYPROPYLENE POLYMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-02-28 WO disclosed