SCHEMBL5721157

SCHEMBL5721157

FC(F)(F)c1cc(-c2c(-c3ccccc3)ccc3c2C=C(c2ccccc2)C3[Zr](Cl)Cl)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
TACR1 P25103 6/20 0.33
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
METAP2 P50579 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ALOX15 P16050 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL5608647 0.88 RXRA (0.33)
SCHEMBL5721179 0.84 PTPN5 (0.32) CNR2CNR1TDP1
SCHEMBL5721458 0.82
SCHEMBL5608634 0.79
SCHEMBL5608755 0.78 TACR1 (0.34) CNR2CNR1TACR1TDP1ADORA2A
SCHEMBL5614987 0.77 TACR1 (0.31) CNR2CNR1TACR1
SCHEMBL5609620 0.77 RXRA (0.33)
SCHEMBL5721528 0.77 RXRA (0.33)
SCHEMBL5721345 0.77 RXRB (0.33)
SCHEMBL5721093 0.77 RXRA (0.33)

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed