SCHEMBL21060841

SCHEMBL21060841

O=C1CCCC(S(=O)(=O)c2ccc(F)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
CRBN Q96SW2 2/20 0.38
PTGS2 P35354 5/20 0.37
PTGS1 P23219 4/20 0.37
TRPA1 O75762 1/20 0.37
MMP2 P08253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MMP9 P14780 1/20 0.35
DDB1 Q16531 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
HTR6 P50406 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21060838 0.83 MAPT (0.63) ALDH1A1MAPTCRBNSMN1; SMN2TSHR
SCHEMBL21060836 0.83 PTGS2 (0.41) ALDH1A1MAPTPTGS2PTGS1MMP2
SCHEMBL28881751 0.79 MAPT (0.71) ALDH1A1MAPTCRBNPTGS2PTGS1
SCHEMBL644453 0.73 HTR2A (0.51) ALDH1A1MAPTPTGS2TRPA1MMP2
SCHEMBL10884103 0.72 PSEN1 (0.48) ALDH1A1MAPTCRBNMMP2MMP9
SCHEMBL16877035 0.71 ALDH1A1 (0.45) ALDH1A1MAPTPTGS2PTGS1MMP2
SCHEMBL16877034 0.71 ALDH1A1 (0.45) ALDH1A1MAPTPTGS2PTGS1MMP2
SCHEMBL3105251 0.70 MMP2 (0.65) ALDH1A1MAPTTRPA1MMP2SMN1; SMN2
SCHEMBL643581 0.70 HTR2A (0.49) MAPTPTGS2PTGS1TRPA1MMP2
SCHEMBL3240288 0.70 HTR2A (0.49) ALDH1A1PTGS2PTGS1TRPA1MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884839-B2 Acetal-protected silanol group-containing polysiloxane composition NISSAN CHEMICAL CORPORATION (JP) 2024-01-30 US disclosed
CN-109563371-B Polysiloxane composition comprising acetal-protected silanol groups 日产化学株式会社 2021-09-21 CN disclosed
US-20190185707-A1 ACETAL-PROTECTED SILANOL GROUP-CONTAINING POLYSILOXANE COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2019-06-20 US disclosed