SCHEMBL5351880

SCHEMBL5351880

CC1=C2CCC3=C(C)C(c4ccc5ccccc5c43)[Zr](C)(C)C1c1ccc3ccccc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
CYP2A6 P11509 3/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 3/20 0.33
CYP1A2 P05177 3/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
KDM1A O60341 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 2/20 0.32
SLC6A4 P31645 2/20 0.31
DHFR P00374 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 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
SCHEMBL797580 0.80 SLC6A4 (0.33) ALDH1A1KDM4ETDP1SLC6A4RAB9A
SCHEMBL7603358 0.78 MEN1 (0.38) ALDH1A1CYP2A6MAPTKDM4EMAPK1
SCHEMBL7602764 0.76 ALDH1A1 (0.35) ALDH1A1CYP2A6MAPTKDM4EMAPK1
SCHEMBL5345743 0.75 HTR1A (0.34)
SCHEMBL5355719 0.73 ALDH1A1 (0.33) ALDH1A1CYP2A6MAPTKDM4EMAPK1
SCHEMBL7602791 0.72 HTR7 (0.36) ALDH1A1CYP2A6MAPTKDM4ECYP1A2
SCHEMBL5354721 0.71 HTR1A (0.33)
SCHEMBL797236 0.69 SLC6A4 (0.35) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL797517 0.68 SLC6A4 (0.32) TDP1SLC6A4ATML3MBTL1
SCHEMBL7602562 0.66 HTR1A (0.34) ALDH1A1CYP2A6MAPTKDM4EMAPK1

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US 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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 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