SCHEMBL8623055

SCHEMBL8623055

CCCO[Si](OCCC)(OCCC)OC(CC(=O)O)CC(=O)OC(=O)CC(CC(=O)O)O[Si](OCCC)(OCCC)OCCC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
MAPK1 P28482 4/20 0.33
GMNN O75496 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
HSP90AA1 P07900 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8621958 0.87 CYP1A2 (0.33) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL8623171 0.77 CYP1A2 (0.36) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL8618205 0.76 CYP1A2 (0.34) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL8623151 0.75 LMNA (0.34) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL8623067 0.74 CYP1A2 (0.40) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL1295670 0.70 LMNA (0.31) LMNA
SCHEMBL498556 0.64 CYP1A2 (0.38) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL9843849 0.62 ALDH1A1 (0.39) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL6381285 0.62 GPR84 (0.38) CYP1A2MAPK1GMNNLMNAMAPT
SCHEMBL17937547 0.62 HSD17B10 (0.32)

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
EP-0608132-B1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1998-05-20 EP disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed