SCHEMBL5359556

SCHEMBL5359556

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](C)(C)(C1C(C)=Cc2c(-c3ccc4ccccc4c3)cccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.35
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
DHFR P00374 1/20 0.32
MET P08581 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
AKT1 P31749 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL138909 0.87 GSTP1 (0.34) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL8216642 0.86 GSTP1 (0.33) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL7188601 0.85 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL60641 0.84 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL4064327 0.84 GSTP1 (0.36) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL7906401 0.83 GSTP1 (0.31) GSTP1
SCHEMBL1049600 0.83
SCHEMBL1050096 0.81 ENPP3 (0.32) DHFRKDM4ENPC1ALDH1A1MAPT
SCHEMBL5952488 0.81 GSTP1 (0.31) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL3399891 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237957-B1 PREPARATION OF SUPPORTED POLYMERIZATION CATALYSTS EXXONMOBIL CHEM PATENTS INC (US) 2006-08-23 EP claimed
US-7202190-B1 Supported catalyst system for the polymerization of olefins TARGOR GMBH (DE) 2007-04-10 US disclosed
US-6759500-B1 PRODUCING FIBERS, FILMS AND MOLDINGS, IN PARTICULAR FOR PRODUCING TUBES HAVING A HIGH CREEP RUPTURE STRENGTH UNDER INTERNAL PRESSURE BASELL POLYOLEFINE GMBH (DE) 2004-07-06 US disclosed
US-6506856-B2 Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal BASF AKTIENGESELLSCHAFT (DE) 2003-01-14 US disclosed
US-6417302-B1 REACTION PRODUCT OF DI(PENTAFLUOROPHENYL) BORINIC ACID AND ORGANOALUMINUM COMPOUND; OLEFIN POLYMERIZATION COORDINATION CATALYSTS BASELL POLYOLEFINE GMBH (DE) 2002-07-09 US disclosed
US-6271164-B1 METALLOCENE CATALYST LYONDELL CHEMICAL TECHNOLOGY, L.P. 2001-08-07 US disclosed
US-6177526-B1 METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. TARGOR GMBH (DE) 2001-01-23 US disclosed
US-6177376-B1 REACTING METALLOCENE WITH ORGANOLITHIUM COMPOUND AND GRIGNARD COMPOUND, ACTIVATION, CONTACTING WITH SUPPORT TARGOR GMBH (DE) 2001-01-23 US disclosed