SCHEMBL5408922

SCHEMBL5408922

C1=C[C](c2cccc3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
PTPN1 P18031 1/20 0.36
ALPL P05186 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP2A6 P11509 3/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GALR1 P47211 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
KEAP1 Q14145 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
SCHEMBL5404228 0.89 NISCH (0.37) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL29514531 0.75 HTR7 (0.40) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL25302086 0.71 ALDH1A1 (0.59) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL27953 0.71 ALDH1A1 (0.59) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL29350007 0.71 ALDH1A1 (0.59) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL497769 0.70 ALDH1A1 (0.46) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL7166811 0.69 SLC6A3 (0.44) NISCHKDM4EGAAPTPN1ALPL
Bromide SCHEMBL8588309 0.69 ALDH1A1 (0.56) NISCHKDM4EGAAPTPN1ALPL
Ammonia Solution, Strong SCHEMBL3156160 0.69 ALDH1A1 (0.56) NISCHKDM4EGAAPTPN1ALPL
SCHEMBL22886689 0.69 DHFR (0.38) NISCHKDM4EGAAALDH1A1HSD17B10

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