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SCHEMBL13855429

SCHEMBL13855429

Cc1ccc(-c2ccc(N3C(=O)C4C5C=CC(C6C(=O)C(c7ccc(Oc8ccc(C(C)(C)c9ccc(Oc%10ccc(N%11C(=O)C%12C%13C=CC(C%14C(=O)N(C)C(=O)C%13%14)C%12C%11=O)cc%10)cc9)cc8)cc7)C(=O)C56)C4C3=O)cc2C)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADCY2 Q08462 4/20 0.33
▸ GAA P10253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL13855439 0.93 TSHR (0.34) ADCY2CYP3A4TSHRCYP2C19NPSR1
SCHEMBL14563391 0.84 TSHR (0.37) ADCY2CYP3A4TSHRCYP2C19NPSR1
SCHEMBL15746109 0.82 TP53 (0.41) ADCY2GAA
SCHEMBL14076704 0.82 TP53 (0.41) ADCY2GAA
SCHEMBL6365242 0.82 TP53 (0.41) ADCY2GAA
SCHEMBL15746110 0.80 ALDH1A1 (0.39) ADCY2GAA
SCHEMBL13400447 0.79 TSHR (0.45) ADCY2GAACYP3A4TSHRCYP2C19
SCHEMBL13773285 0.76 TP53 (0.42) ADCY2GAA
SCHEMBL14005780 0.76 SMN1; SMN2 (0.37) ADCY2
SCHEMBL13400450 0.75 TP53 (0.48) ADCY2GAA

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-20090136689-A1 LIQUID CRYSTAL DISPLAY DEVICE LEU CHYI-MING 2009-05-28 — — US disclosed