SCHEMBL5695952

SCHEMBL5695952

C=C(COc1ccccc1-c1ccc(S(=O)(=O)C(=C)C#N)cc1)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.35
LMNA P02545 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 3/20 0.35
HTT P42858 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
AR P10275 1/20 0.34
SCN9A Q15858 4/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5695950 0.81 DRD1 (0.38) DRD1L3MBTL1LMNATDP1MAPK1
SCHEMBL5695960 0.77 DRD1 (0.42) DRD1LMNAMAPK1HTTPTGS2
SCHEMBL5696010 0.73 PTGS2 (0.38) DRD1L3MBTL1LMNASCN9APTGS2
SCHEMBL5695969 0.69 ALDH1A1 (0.64) L3MBTL1LMNATDP1MAPK1KDM4E
SCHEMBL742011 0.64 PKM (0.46) L3MBTL1TDP1HTTKDM4EALDH1A1
SCHEMBL11152641 0.62 HPGD (0.47) LMNATDP1MAPK1HTTKDM4E
SCHEMBL28764074 0.60 HPGD (0.41) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL10589802 0.59 POLB (0.36) L3MBTL1LMNAMAPK1PTGS2KDM4E
SCHEMBL8062542 0.59 L3MBTL1 (0.58) L3MBTL1LMNATDP1MAPK1HTT
SCHEMBL11879645 0.59 TSHR (0.47) LMNATDP1ALDH1A1USP2MAPT

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
EP-1371654-B1 Sunscreen compositions containing silane or siloxane derivatives of phenylsulfon acrylonitrile, phenylsulfon acrylonitrile derivatives and their use as UV filter OREAL (FR) 2006-06-14 EP disclosed