SCHEMBL27458609

SCHEMBL27458609

CC(C)(C)c1ccc(Oc2ccc(C(C)(C)C)c(C(C)(C)C)c2C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
Sulfuric Acid SCHEMBL6353451 0.88 PTGDR2 (0.34) PTGDR2CA2ALDH1A1
SCHEMBL706749 0.82 PTGDR2 (0.31) PTGDR2
SCHEMBL7136409 0.82 CA2 (0.41) CA2ALDH1A1TSHRTDP1
SCHEMBL17749176 0.80 PTGDR2 (0.30) PTGDR2
SCHEMBL7888655 0.80 PTGDR2 (0.30) PTGDR2
SCHEMBL28905579 0.79 CA2 (0.44) CA2ALDH1A1TSHRTDP1
SCHEMBL28481250 0.77 PTGDR2 (0.32) PTGDR2CA2
SCHEMBL6671342 0.77
SCHEMBL1276333 0.77 PTGDR2 (0.32) PTGDR2CA2
SCHEMBL28669262 0.77 PTGDR2 (0.32) PTGDR2CA2

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
CN-1127504-A Substituted 2-phenylpyridines with herbicidal action BASF AG (DE) 1996-07-24 CN disclosed