SCHEMBL8070836

SCHEMBL8070836

CC(C)(C)[Si](OCCOCCOCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
SMYD2 Q9NRG4 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
AGTR1 P30556 1/20 0.33
PTGIR P43119 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGDR Q13258 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL8071091 1.00 SMN1; SMN2 (0.37) SMN1; SMN2SMYD2CYP3A4HTTALOX15
SCHEMBL13311307 0.98 SMYD2 (0.38) SMN1; SMN2SMYD2CYP3A4HTTALOX15
SCHEMBL8070769 0.90 TBXA2R (0.40) SMN1; SMN2SMYD2CYP3A4HTTALOX15
SCHEMBL8075411 0.90 TBXA2R (0.37) SMN1; SMN2SMYD2CYP3A4HTTALOX15
SCHEMBL22557449 0.88 LMNA (0.39) SMN1; SMN2SMYD2CYP3A4HTTL3MBTL1
SCHEMBL2556825 0.88 LMNA (0.39) SMN1; SMN2SMYD2CYP3A4HTTL3MBTL1
SCHEMBL22557768 0.87 SMN1; SMN2 (0.38) SMN1; SMN2SMYD2CYP3A4HTTPOLB
SCHEMBL15195469 0.85 CYP3A4 (0.38) SMN1; SMN2SMYD2CYP3A4HTTPTGIR
SCHEMBL13250794 0.85 SMYD2 (0.37) SMN1; SMN2SMYD2CYP3A4HTTKMT2A
SCHEMBL20475256 0.85 SMYD2 (0.37) SMN1; SMN2SMYD2CYP3A4HTTKMT2A

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-6080771-A LEINAMYCIN DERIVATIVES ARE USED AS BACTERICIDE AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-06-27 US disclosed
EP-0887351-A1 DC 107 DERIVATIVES (2) KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-30 EP disclosed