SCHEMBL5721176

SCHEMBL5721176

CC(C)c1ccc2c(c1-c1ccccc1-c1ccccc1)C=C(C(C)(C)C)[CH]2

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 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
SCHEMBL5721857 0.85 PTGS2 (0.30)
SCHEMBL5721535 0.82 CYP2A6 (0.30)
SCHEMBL5721424 0.82 CA12 (0.31)
SCHEMBL5721867 0.82 PTPN5 (0.32) PTPN5
SCHEMBL5721844 0.82 CA12 (0.31)
SCHEMBL5721596 0.82 GCGR (0.32) PTPN5
SCHEMBL5721399 0.79
SCHEMBL5721494 0.78 PPARA (0.30)
SCHEMBL5721724 0.77
SCHEMBL5721253 0.77 METAP2 (0.35)

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