SCHEMBL13704320

SCHEMBL13704320

CCC(C)c1ccc(C(=O)OC(C)c2cc(Br)cc(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38

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
SCHEMBL13704322 0.90 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704324 0.83 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704325 0.81 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704319 0.81 TSHR (0.44) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704327 0.80 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL10804431 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13144172 0.79 CA12 (0.59) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704367 0.78 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL13704331 0.78 UTS2R (0.46) ALDH1A1TSHRMEN1KMT2A
SCHEMBL17833877 0.78 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2AMAPT

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-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 — — US disclosed
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