SCHEMBL7028244

SCHEMBL7028244

C[C@@H]1C(c2ccccc2)=C([Zr]C2=C(c3ccccc3)[C@H](C)c3ccccc32)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
GPR3 P46089 2/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7026733 1.00 CHRNB2 (0.33) CHRNB2CHRNA4GPR3BRD4MEN1
SCHEMBL8024846 0.83
SCHEMBL28814695 0.76 GPR3 (0.36) CHRNB2CHRNA4GPR3BRD4MEN1
SCHEMBL7641206 0.75 DRD2 (0.33)
SCHEMBL16321982 0.74 CHRNB2 (0.33) CHRNB2CHRNA4GPR3BRD4
Hydrochloric Acid SCHEMBL6280844 0.73 CHRNB2 (0.32) CHRNB2CHRNA4GPR3BRD4
Hydrochloric Acid SCHEMBL6285725 0.73 CHRNB2 (0.32) CHRNB2CHRNA4GPR3BRD4
Hydrochloric Acid SCHEMBL6289886 0.73 CHRNB2 (0.32) CHRNB2CHRNA4GPR3BRD4
SCHEMBL6633153 0.70 MEN1 (0.38) MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6923403 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559262-B1 An elastomeric amorphous-crystalline blocks copolymer of at least one alpha olefin monomor with ethylene having less than 10 mole % ethylene units, said ethylene is incorporated randomly between the olefin units in the polymer chain with a THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY 2003-05-06 US disclosed