SCHEMBL6063398

SCHEMBL6063398

COc1cc(F)c(Bc2c(F)c(F)cc(F)c2OC)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL6062229 0.89 TAAR1 (0.41) TAAR1FFAR1FFAR4ALDH1A1CYP1A2
SCHEMBL5357645 0.89 TUBB1 (0.32) ALDH1A1
SCHEMBL6062720 0.88 TAAR1 (0.38) TAAR1FFAR1FFAR4ALDH1A1CYP1A2
SCHEMBL6062842 0.88
SCHEMBL6061958 0.87 TUBB1 (0.31)
SCHEMBL6062252 0.86
SCHEMBL6063571 0.86
SCHEMBL6063358 0.84 TAAR1 (0.40) TAAR1FFAR1FFAR4ALDH1A1CYP1A2
SCHEMBL5358129 0.83 TAAR1 (0.48) TAAR1ALDH1A1CYP1A2CYP1A1CYP1B1
SCHEMBL6063248 0.83

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