SCHEMBL6689248

SCHEMBL6689248

Cc1ccc(C2(c3ccccc3F)C=Cc3ccccc3C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.33
OXTR P30559 1/20 0.32
OPRM1 P35372 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.30
KIF11 P52732 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
SCHEMBL6689781 0.90 OPRM1 (0.32) HDAC9OPRM1
SCHEMBL6536500 0.87 ATM (0.34) OPRM1ALDH1A1CHRM5KIF11
SCHEMBL5072171 0.84
SCHEMBL9546931 0.81 MAOA (0.36) MEN1KMT2A
SCHEMBL8085651 0.81 PDK2 (0.35) MEN1KMT2ACHRM5
SCHEMBL6536806 0.77
SCHEMBL6536567 0.73 PARP1 (0.34) HDAC9
SCHEMBL4239575 0.71 HPGD (0.40) MEN1ALDH1A1KMT2A
SCHEMBL6689370 0.70 MAPT (0.35) MEN1ALDH1A1KMT2A
SCHEMBL7455420 0.70 ACHE (0.37) OPRM1ALDH1A1CHRM5KIF11

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-2004085568-A2 PHOTOCHROMIC ARTICLES WITH REDUCED TEMPERATURE DEPENDENCY AND METHODS FOR PREPARATION TRANSITIONS OPTICAL, INC. (US) 2004-10-07 WO disclosed