SCHEMBL13704334

SCHEMBL13704334

CCC(C)c1ccc(C(=O)OC(C)(C)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ GRIA4 P48058 2/20 0.36
▸ UTS2R Q9UKP6 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
SCHEMBL13704321 0.88 TSHR (0.43) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704332 0.88 ALDH1A1 (0.43) TSHRALDH1A1MAPTNPSR1KMT2A
SCHEMBL14827404 0.88 ALDH1A1 (0.44) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704335 0.88 ALDH1A1 (0.44) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704323 0.88 ALDH1A1 (0.48) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL25899377 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704333 0.82 ALDH1A1 (0.42) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704326 0.82 ALDH1A1 (0.42) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704370 0.81 ALDH1A1 (0.39) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL13704328 0.81 ALDH1A1 (0.42) TSHRALDH1A1MAPTNPC1RAB9A

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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