SCHEMBL5359557

SCHEMBL5359557

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](C)(C)(C)(C)(=[SiH2])C1C(C)=Cc2c(-c3ccc4ccccc4c3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
DHFR P00374 1/20 0.33
MET P08581 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
AKT1 P31749 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL5067417 0.84 PDCD1 (0.33) CHRNB2CHRNA4
SCHEMBL6065657 0.82 EDNRB (0.31)
SCHEMBL5353710 0.80 CA12 (0.33) DHFRCYP2A6ALDH1A1HPGDKDM4E
SCHEMBL6065482 0.79 EDNRB (0.34)
SCHEMBL28941567 0.79 GSTP1 (0.38) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL7940308 0.79 GSTP1 (0.44) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL6065619 0.78 BRD4 (0.32)
SCHEMBL7601711 0.78 GSTP1 (0.37) GSTP1HDAC4HDAC2HDAC8SLC6A2
Hydrochloric Acid SCHEMBL7601708 0.77 GSTP1 (0.39) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL6065066 0.77 CYP11B1 (0.34) SMN1; SMN2

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
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-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