SCHEMBL8680443

SCHEMBL8680443

C[Si](C)(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
SLC18A3 Q16572 1/20 0.37
G6PC1 P35575 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC18A2 Q05940 1/20 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
SCHEMBL28426069 0.98 POLB (0.38) USP2HPGDHSD17B10EPHX2ALDH1A1
SCHEMBL29275474 0.77 CYP19A1 (0.41) USP2HPGDHSD17B10EPHX2ALDH1A1
SCHEMBL26791613 0.76 F2 (0.41) HPGDALDH1A1SLC18A2
SCHEMBL7057380 0.75 LMNA (0.37) HPGDALDH1A1RAB9A
SCHEMBL1315039 0.73 HTR2A (0.39) USP2HPGDHSD17B10ALDH1A1POLB
SCHEMBL1314994 0.73 HTR2A (0.39) USP2HPGDHSD17B10EPHX2ALDH1A1
SCHEMBL2292120 0.72 EPHX2 (0.38) HPGDEPHX2ALDH1A1CYP19A1RAB9A
SCHEMBL16378246 0.71 TP53 (0.48) HPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL2622738 0.69 NR1H2 (0.54) HPGDALDH1A1RAB9APOLBSLC18A3
SCHEMBL28527639 0.69 TP53 (0.33) ALDH1A1L3MBTL1

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
JP-10195447-A None JP disclosed
JP-H10195447-A LIQUID CRYSTAL ADDITIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAYING ELEMENT BY USING THE SAME COMPOSITION NEC CORP 1998-07-28 JP disclosed