SCHEMBL5353065

SCHEMBL5353065

COc1cc(F)c(Bc2c(F)cc(C)c(F)c2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP3A4 P08684 1/20 0.31
RAB9A P51151 1/20 0.31
AMY1A P0DUB6 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
SCHEMBL6063358 0.85 TAAR1 (0.40) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL5365959 0.84
SCHEMBL5358129 0.84 TAAR1 (0.48) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL5355149 0.84 TAAR1 (0.39) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL6062913 0.83 TAAR1 (0.36) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL5346533 0.82 TAAR1 (0.38) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL5348349 0.82 MEN1 (0.33)
SCHEMBL6064035 0.81 RAPGEF4 (0.34)
SCHEMBL5347488 0.81
SCHEMBL6062206 0.80 TAAR1 (0.39) TAAR1ALDH1A1CYP1A1CYP1A2CYP1B1

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