SCHEMBL13704333

SCHEMBL13704333

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ DHODH Q02127 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ NTRK1 P04629 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13704332 0.88 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL13704326 0.85 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL13704323 0.83 ALDH1A1 (0.48) ALDH1A1MAPTTP53TSHRCYP1A2
SCHEMBL13704334 0.82 TSHR (0.43) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13704328 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL13704335 0.81 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL13704373 0.81 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13704341 0.81 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13704393 0.81 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL14827404 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT

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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