SCHEMBL5349865

SCHEMBL5349865

COc1ccc(F)c(Bc2cc(C)c(F)cc2F)c1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.38
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
BACE1 P56817 1/20 0.31
NFE2L2 Q16236 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ACHE P22303 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL6062381 0.88 TUBB1 (0.41) TUBB1PTGS2PTGS1NFE2L2LMNA
SCHEMBL5352021 0.83 TUBB1 (0.34) TUBB1
SCHEMBL6063137 0.82 GPR3 (0.31)
SCHEMBL6063418 0.82 TUBB1 (0.38) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL5355583 0.80 TUBB1 (0.43) TUBB1PTGS1NFE2L2LMNAMAPK1
SCHEMBL6063832 0.79 TUBB1 (0.45) TUBB1PTGS1NFE2L2LMNAMAPK1
SCHEMBL6062526 0.79 TUBB1 (0.42) TUBB1PTGS2PTGS1NFE2L2LMNA
SCHEMBL5366348 0.78 TUBB1 (0.40) TUBB1PTGS2PTGS1NFE2L2LMNA
SCHEMBL5357185 0.78
SCHEMBL5354701 0.78 TUBB1 (0.40) TUBB1PTGS2PTGS1NFE2L2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217676-B2 Hydrophobization and silica for supported catalyst EXXON MOBIL CHEMICAL PATENTS INC. (US) 2007-05-15 US disclosed
US-20060264320-A1 Hydrophobization and silica for supported catalyst RODRIGUEZ GEORGE 2006-11-23 US disclosed
EP-1704171-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST ExxonMobil Chemical Patents Inc. (US) 2006-09-27 EP disclosed
WO-2005075526-A2 HYDROPHOBIZATION AND SILICA FOR SUPPORTED CATALYST EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-08-18 WO disclosed
US-20050159299-A1 Hydrophobization and silica for supported catalyst EXXONMOBIL CHEMICAL PATENTS INC. 2005-07-21 US disclosed