SCHEMBL13704366

SCHEMBL13704366

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GRIA4 P48058 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13704323 0.82 ALDH1A1 (0.48) TSHRALDH1A1GRIA4NPC1RAB9A
SCHEMBL13704334 0.81 TSHR (0.43) TSHRALDH1A1GRIA4NPC1RAB9A
SCHEMBL13704321 0.80 TSHR (0.43) TSHRALDH1A1GRIA4NPC1RAB9A
SCHEMBL13704332 0.80 ALDH1A1 (0.43) TSHRALDH1A1GRIA4MAPTSMN1; SMN2
SCHEMBL25899377 0.80 ALDH1A1 (0.43) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL14827404 0.80 ALDH1A1 (0.44) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL13704326 0.79 ALDH1A1 (0.42) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL13704333 0.79 ALDH1A1 (0.42) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL13704355 0.78 ALOX5 (0.43) TSHRALDH1A1GRIA4NPC1RAB9A
SCHEMBL6367420 0.78 TSHR (0.47) TSHRALDH1A1GRIA4NPC1RAB9A

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
Send feedback