SCHEMBL3383295

SCHEMBL3383295

CC[Al](C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 6/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL11474871 0.85 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL3382953 0.81 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL11475155 0.78 RET (0.37) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL3381093 0.77 HTR2A (0.40) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL9055496 0.74 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL9054777 0.74 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ECYP2D6
Alcohol SCHEMBL28204419 0.71 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL29554562 0.69 HTR6 (0.53) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL1539616 0.69 HTR6 (0.53) HTR2AHTR6SIGMAR1KDM4ECYP2D6
SCHEMBL3385177 0.69 HTR6 (0.49) HTR2AHTR6SIGMAR1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996013531-A1 PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS W.R. GRACE & CO.-CONN. (US) 1996-05-09 WO claimed
US-7709586-B2 Olefin polymerization catalyst and olefin polymerization process using the same DAELIM INDUSTRIAL CO., LTD. (KR) 2010-05-04 US disclosed
US-20070142221-A1 Olefin polymerization catalyst and olefin polymerization process using the same DAELIM INDUSTRIAL CO., LTD. 2007-06-21 US disclosed
WO-1996013531-A1 PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS W.R. GRACE & CO.-CONN. (US) 1996-05-09 WO disclosed