SCHEMBL6063676

SCHEMBL6063676

COc1cc(Bc2c(F)cc(F)cc2F)c(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TUBB1 Q9H4B7 1/20 0.31
TRPA1 O75762 2/20 0.31
HTR1A P08908 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL6063219 0.93 TRPA1 (0.32) LMNAMAPK1HTTRAB9ATRPA1
SCHEMBL6063150 0.88 TAAR1 (0.37) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL5357655 0.85 LMNA (0.37) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL6063580 0.84 TUBB1 (0.37) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL6063350 0.84 TUBB1 (0.39) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL6063431 0.83 TUBB1 (0.36) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL6063310 0.81 TUBB1 (0.32) TUBB1
SCHEMBL5346130 0.81 TUBB1 (0.33) TUBB1
SCHEMBL6063355 0.81 TUBB1 (0.35) TUBB1
SCHEMBL6062305 0.81 ALDH1A1 (0.31) LMNATUBB1ALDH1A1

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