SCHEMBL5721179

SCHEMBL5721179

CC(C)c1ccc2c(c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C=C(c1ccccc1)C2[Zr](Cl)Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5721830 0.90 RXRA (0.32)
SCHEMBL5721268 0.84
SCHEMBL5721312 0.84 ROCK2 (0.31)
SCHEMBL5721157 0.84 CNR2 (0.33) CNR1CNR2TDP1
SCHEMBL5721284 0.84
SCHEMBL7123768 0.80 PTPN5 (0.32) PTPN5CNR1CNR2
SCHEMBL5721441 0.80 PTPN5 (0.31) PTPN5
SCHEMBL5721761 0.80
SCHEMBL5609121 0.80 PTPN5 (0.30) PTPN5
SCHEMBL5721952 0.78 ALDH1A1 (0.32)

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