SCHEMBL8096661

SCHEMBL8096661

C[Ti](C)(=[SiH2])(Cl)(Cl)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
SIGMAR1 Q99720 4/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 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
SCHEMBL2534282 0.85 HTR2A (0.35) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL7584104 0.79 HTR6 (0.32) HTR2AHTR6SIGMAR1
SCHEMBL7600847 0.79 SIGMAR1 (0.35) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL7602900 0.79 SIGMAR1 (0.33) HTR2AHTR6SIGMAR1
SCHEMBL8373509 0.75 SIGMAR1 (0.39) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL7941311 0.75 SIGMAR1 (0.31) HTR2ASIGMAR1KDM4ELMNATP53
SCHEMBL6461751 0.74 SIGMAR1 (0.30) SIGMAR1
SCHEMBL796809 0.74 KDM4E (0.33) HTR2AHTR6SIGMAR1KDM4ELMNA
SCHEMBL7927218 0.74 SIGMAR1 (0.30) SIGMAR1
SCHEMBL7930986 0.73 POLB (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143845-A USING CATALYST MIXTURE OF TRANSITION-METAL COMPOUND HAVING LIGAND WITH CONJUGATED PI ELECTRON, ALUMINOXANE, AND A DIHYDROCARBYLOXY MAGNESIUM OR HYDROCARBYLOXYMAGNESIUM HALIDE; REGULATION OF MOLECULAR WEIGHT(MW) DISTRIBUTION, HIGH MW IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-11-07 US disclosed
EP-0609439-B1 PROCESS FOR PRODUCING POLYOLEFIN IDEMITSU PETROCHEMICAL CO (JP) 1996-11-27 EP disclosed
EP-0609439-A1 PROCESS FOR PRODUCING POLYOLEFIN IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-08-10 EP disclosed
EP-0598134-A1 PROCESS FOR PRODUCING POLYOLEFIN IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-05-25 EP disclosed
EP-0572003-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed
EP-0571987-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed
EP-0572034-A2 Ethylenic copolymer and ethylenic copolymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed