SCHEMBL5650004

SCHEMBL5650004

[3H]C([3H])([3H])Cc1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL9006509 0.86 RAB9A (0.45) RAB9AELANEALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13669682 0.78 PTGS2 (0.47)
SCHEMBL4530562 0.77 RAB9A (0.35) RAB9AELANEALDH1A1SMN1; SMN2POLB
SCHEMBL4711303 0.76 LTA4H (0.47) ELANETHRB
SCHEMBL12903696 0.76 THRB (0.54) RAB9AALDH1A1SMN1; SMN2THRB
SCHEMBL8731268 0.75 TRPA1 (0.36) ELANEALDH1A1THRB
SCHEMBL12888778 0.74 ESR1 (0.48) ELANETHRB
SCHEMBL13422210 0.72 LTA4H (0.52) ELANECYP2C19
SCHEMBL4260460 0.72 THRB (0.39) ELANETHRB
SCHEMBL9909122 0.71 LMNA (0.52) ALDH1A1CYP2C19POLBTHRB

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
WO-2007005335-A1 BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 2007-01-11 WO disclosed