SCHEMBL13704331

SCHEMBL13704331

CCC(C)c1ccc(C(=O)OC(C)c2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 1/20 0.46
▸ UGT2B7 P16662 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL13704365 0.96 UTS2R (0.43) UTS2RUGT2B7TSHRADRB2ADRB1
SCHEMBL13704346 0.96 UTS2R (0.43) UTS2RUGT2B7TSHRADRB2ADRB1
SCHEMBL13704372 0.96 UTS2R (0.43) UTS2RUGT2B7TSHRADRB2ADRB1
SCHEMBL13704357 0.90 ALDH1A1 (0.45) UTS2RTSHRALDH1A1CYP2D6MEN1
SCHEMBL13704369 0.89 ALDH1A1 (0.44) UTS2RTSHRALDH1A1CYP2D6MEN1
SCHEMBL13704338 0.88 ALDH1A1 (0.45) UTS2RTSHRALDH1A1MEN1KMT2A
SCHEMBL13704342 0.87 PDCD1 (0.48) UTS2RTSHRALDH1A1AKR1C3AKR1C2
SCHEMBL13704343 0.85 TP53 (0.38) UTS2RTSHRALDH1A1MEN1CYP1A2
SCHEMBL13704325 0.85 ALDH1A1 (0.48) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL13704367 0.84 ALDH1A1 (0.40) UTS2RTSHRALDH1A1MEN1KMT2A

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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