SCHEMBL13704338

SCHEMBL13704338

CCC(C)c1ccc(C(=O)OC(C)c2ccc3cc(C)ccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ UTS2R Q9UKP6 2/20 0.39
▸ AKR1C3 P42330 5/20 0.39
▸ AKR1C2 P52895 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL13704331 0.88 UTS2R (0.46) ALDH1A1TSHRUTS2RAKR1C3AKR1C2
SCHEMBL13704346 0.87 UTS2R (0.43) ALDH1A1TSHRUTS2RAKR1C3AKR1C2
SCHEMBL13704372 0.87 UTS2R (0.43) ALDH1A1TSHRUTS2RAKR1C3AKR1C2
SCHEMBL13704365 0.87 UTS2R (0.43) ALDH1A1TSHRUTS2RAKR1C3AKR1C2
SCHEMBL13704319 0.86 TSHR (0.44) ALDH1A1TSHRUTS2RMEN1KMT2A
SCHEMBL13704343 0.82 TP53 (0.38) ALDH1A1TSHRUTS2RAKR1C3AKR1C2
SCHEMBL13704357 0.81 ALDH1A1 (0.45) ALDH1A1TSHRUTS2RMEN1KMT2A
SCHEMBL13704342 0.81 PDCD1 (0.48) ALDH1A1TSHRUTS2RAKR1C3AKR1C2
SCHEMBL13704369 0.81 ALDH1A1 (0.44) ALDH1A1TSHRUTS2RMEN1KMT2A
SCHEMBL13704340 0.78 ALDH1A1 (0.36) ALDH1A1TSHRUTS2RMEN1KMT2A

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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