SCHEMBL9440575

SCHEMBL9440575

COc1cc(C=C(CCCC[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 4/20 0.37
HTR2C P28335 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.33
TUBB1 Q9H4B7 3/20 0.33
HDAC3 O15379 2/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
HDAC4 P56524 2/20 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
SCHEMBL645502 0.97 MEN1 (0.38) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL6675235 0.83 POLB (0.36) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL647487 0.81 KMT2A (0.38) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL647364 0.80 ALDH1A1 (0.40) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL9440566 0.78 POLB (0.40) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL9440516 0.77 POLB (0.40) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL10610363 0.77 HTR1A (0.52) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL10606243 0.77 HTR1A (0.52) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL9119119 0.77 POLB (0.41) POLBMEN1KMT2AHTR1AHTR2C
SCHEMBL28310756 0.76 ALOX5 (0.51) POLBMEN1KMT2AHTR1AHTR2C

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
US-5315022-A Sunscreen SHISEIDO COMPANY LTD. (JP) 1994-05-24 US disclosed