SCHEMBL11113892

SCHEMBL11113892

CC(C)(C)c1ccccc1[SiH2]OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
HTT P42858 2/20 0.43
MAOB P27338 1/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL4620030 0.84 ALDH1A1 (0.43) ALDH1A1HTTMAOBTSHRNPSR1
SCHEMBL10863915 0.82 HSD17B10 (0.49) ALDH1A1HTTMAOBTSHRCA12
SCHEMBL11057498 0.82 ALDH1A1 (0.50) ALDH1A1HTTMAOBTSHRCA12
SCHEMBL4619017 0.79 TSHR (0.50) ALDH1A1HTTMAOBTSHRCA12
SCHEMBL4619585 0.76 ALDH1A1 (0.43) ALDH1A1HTTMAOBTSHRCA12
SCHEMBL4618875 0.76 ALDH1A1 (0.43) ALDH1A1HTTMAOBTSHRNPSR1
SCHEMBL28908609 0.75 ALDH1A1 (0.56) ALDH1A1HTTMAOBTSHRCA12
SCHEMBL1814272 0.72 ALDH1A1 (0.53) ALDH1A1HTTMAOBTSHRNPSR1
SCHEMBL10541184 0.72 ALDH1A1 (0.49) ALDH1A1HTTMAOBTSHRNPSR1
SCHEMBL419987 0.71 NPSR1 (0.59) ALDH1A1HTTTSHRNPSR1TDP1

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-0114258-A1 Resin encapsulation type photo-semiconductor devices KABUSHIKI KAISHA TOSHIBA (JP) 1984-08-01 EP claimed