SCHEMBL19033813

SCHEMBL19033813

CC(C)(C)c1ccc(SC(C)(C)c2ccc(I)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.43
▸ TSHR P16473 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TYR P14679 1/20 0.37
▸ EPHX2 P34913 2/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL13558183 0.82 TSHR (0.39) TSHRTRPV1ALDH1A1LMNATYR
SCHEMBL19033812 0.80 TSHR (0.38) TSHRTRPV1ALDH1A1LMNATYR
SCHEMBL30157 0.80 APP (0.57) APPTSHRALDH1A1LMNATYR
Ethane SCHEMBL2444352 0.78 APP (0.55) APPTSHRALDH1A1LMNATYR
Methane SCHEMBL2441578 0.78 APP (0.55) APPTSHRALDH1A1LMNATYR
Methane SCHEMBL4494379 0.78 APP (0.55) APPTSHRALDH1A1LMNATYR
Ethane SCHEMBL15238205 0.78 APP (0.55) APPTSHRALDH1A1LMNATYR
SCHEMBL19033811 0.74 SLC6A4 (0.34) TSHRTRPV1ALDH1A1LMNATYR
SCHEMBL28781680 0.73 APP (0.52) APPTSHRTRPV1ALDH1A1LMNA
SCHEMBL2436188 0.73 APP (0.52) APPTSHRTRPV1ALDH1A1LMNA

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-9688817-B2 Method for producing polyarylene sulfide resin and polyarylene sulfide resin composition DIC Corporation (Tokyo) (JP) 2017-06-27 — — US disclosed
Send feedback