SCHEMBL5404228

SCHEMBL5404228

C1=C[C](c2cccc3ccccc23)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.37
GALR1 P47211 1/20 0.36
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
PTPN1 P18031 1/20 0.34
ALPL P05186 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL5408922 0.89 NISCH (0.39) NISCHGALR1KDM4EGAAPTPN1
SCHEMBL28777035 0.70 GRM2 (0.46) NISCHGALR1BRD4KDM4EGAA
SCHEMBL497993 0.69 NISCH (0.43) NISCHGALR1BRD4KDM4EGAA
SCHEMBL4723266 0.69 NISCH (0.43) NISCHGALR1BRD4KDM4EGAA
SCHEMBL29186323 0.69 NISCH (0.43) NISCHGALR1BRD4KDM4EGAA
SCHEMBL1524742 0.69 ALDH1A1 (0.39) ALDH1A1
SCHEMBL25302086 0.68 ALDH1A1 (0.59) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL29350007 0.68 ALDH1A1 (0.59) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL27953 0.68 ALDH1A1 (0.59) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL5404855 0.68 GSTP1 (0.40) NISCHKDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192684-B2 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20040067436-A1 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed