SCHEMBL13704324

SCHEMBL13704324

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ 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
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ PRKCA P17252 2/20 0.36
▸ PRKCD Q05655 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 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
SCHEMBL13704327 0.89 ALDH1A1 (0.43) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13704320 0.83 ALDH1A1 (0.41) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13704322 0.81 ALDH1A1 (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13704325 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13704319 0.81 TSHR (0.44) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13704340 0.79 ALDH1A1 (0.36) ALDH1A1TSHRCA12CA1CA2
SCHEMBL10804431 0.79 ALDH1A1 (0.50) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13144172 0.79 CA12 (0.59) ALDH1A1TSHRCA12CA1CA2
SCHEMBL13704345 0.79 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL13704367 0.78 ALDH1A1 (0.40) ALDH1A1TSHRCA12CA1CA2

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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