SCHEMBL13704355

SCHEMBL13704355

CCC(C)c1ccc(C(=O)OC(C)c2ccsc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GRIA4 P48058 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ NTRK1 P04629 1/20 0.35

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
SCHEMBL13704322 0.80 ALDH1A1 (0.44) ALOX5TSHRALDH1A1NPC1RAB9A
SCHEMBL13704319 0.80 TSHR (0.44) TSHRALDH1A1GRIA4MAPTCA12
SCHEMBL13704325 0.80 ALDH1A1 (0.48) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL13704327 0.79 ALDH1A1 (0.43) TSHRALDH1A1GRIA4NPC1RAB9A
SCHEMBL13704366 0.78 TSHR (0.41) ALOX5TSHRALDH1A1GRIA4NPC1
SCHEMBL10804431 0.78 ALDH1A1 (0.50) TSHRALDH1A1GRIA4NPC1RAB9A
SCHEMBL13144172 0.78 CA12 (0.59) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL13704231 0.77 ALOX5 (0.46) ALOX5ALDH1A1MAPTCHRNB2CHRNB4
SCHEMBL13704320 0.77 ALDH1A1 (0.41) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL13704324 0.77 ALDH1A1 (0.41) TSHRALDH1A1NPC1RAB9AMAPT

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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