SCHEMBL5353707

SCHEMBL5353707

CC1=C2c3c(-c4cccc5ccccc45)cccc3C1[Zr](C)(C)C1C(C)=C(c3c(-c4cccc5ccccc45)cccc31)[Si]2(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KDM4E B2RXH2 2/20 0.30
TDP2 O95551 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL5066295 0.86 ALDH1A1 (0.34) ALDH1A1CYP2A6KDM4EMAPTHPGD
SCHEMBL7889132 0.83 TDP1 (0.31)
SCHEMBL5067415 0.82 PDCD1 (0.31)
SCHEMBL5359553 0.81 HDAC4 (0.36)
SCHEMBL6654428 0.80 DHFR (0.34) DHFRALDH1A1CYP2A6MAOAMAOB
SCHEMBL7598615 0.80 DHFR (0.32) DHFR
Hydrochloric Acid SCHEMBL622158 0.79 DHFR (0.33) DHFRALDH1A1CYP2A6MAOAMAOB
SCHEMBL6065652 0.78 EDNRB (0.32)
SCHEMBL5352023 0.77 PBRM1 (0.30)
SCHEMBL5352317 0.77 ALDH1A1 (0.35) ALDH1A1KDM4ETDP2MAPTHPGD

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 5 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-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