SCHEMBL6063983

SCHEMBL6063983

COc1cc(Bc2c(F)c(F)cc(F)c2OC)c(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.35
ALDH1A1 P00352 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL6063350 0.90 TUBB1 (0.39) TUBB1ALDH1A1
SCHEMBL6063310 0.87 TUBB1 (0.32) TUBB1PDGFRBPDGFRA
SCHEMBL6063253 0.85 TUBB1 (0.33) TUBB1
SCHEMBL6062208 0.85 TUBB1 (0.39) TUBB1
SCHEMBL5350989 0.84
SCHEMBL6063580 0.83 TUBB1 (0.37) TUBB1
SCHEMBL6062318 0.83 TUBB1 (0.31) TUBB1
SCHEMBL5357645 0.82 TUBB1 (0.32) TUBB1ALDH1A1PDGFRBPDGFRA
SCHEMBL6061958 0.81 TUBB1 (0.31) TUBB1
SCHEMBL6063355 0.81 TUBB1 (0.35) TUBB1

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-20060264320-A1 Hydrophobization and silica for supported catalyst RODRIGUEZ GEORGE 2006-11-23 US disclosed