SCHEMBL7656352

SCHEMBL7656352

CC(C)C1C=Cc2ccccc21.[Zr]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
HTR2A P28223 2/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL29658875 0.98 SIGMAR1 (0.41) SIGMAR1HTR2AHTR6KDM4EBRD4
SCHEMBL5597184 0.98 SIGMAR1 (0.41) SIGMAR1HTR2AHTR6KDM4EBRD4
Ethylene SCHEMBL10454556 0.92 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4EBRD4
SCHEMBL6904952 0.88 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4EBRD4
Hydrochloric Acid SCHEMBL7640182 0.86 SIGMAR1 (0.36) SIGMAR1HTR2AHTR6KDM4EBRD4
SCHEMBL28003595 0.85 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4EBRD4
SCHEMBL668104 0.85 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4EBRD4
SCHEMBL29603716 0.85 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4EBRD4
Glycerin SCHEMBL6838628 0.84 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ELMNA
SCHEMBL6684913 0.84 SIGMAR1 (0.35) SIGMAR1HTR2AHTR6KDM4EBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380334-B1 ADDITION POLYMERIZATION OF OLEFINS WITH BRIDGED INDENYL TYPE METALLOCENE AND ACTIVATOR SUCH AS AN ALUMOXANE; HIGHER MELTING POINT POLYOLEFINS, SUCH AS POLYPROPYLENE EXXONMOBIL CHEMICAL PATENTS INC. 2002-04-30 US disclosed
US-6376411-B1 COORDINATION POLYMERIZATION CATALYST ON SUPPORT EXXONMOBIL CHEMICAL PATENTS INC. 2002-04-23 US disclosed