SCHEMBL4897504

SCHEMBL4897504

CCO[Si](CCCc1nccn1CC)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCB11 O95342 1/20 0.34
ADRA2B P18089 1/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 2/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
TLR8 Q9NR97 2/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL4895866 0.90 CYP1A2 (0.35) KMT2AMEN1MAPK1MAPTCYP1A2
SCHEMBL4888405 0.86 ALDH1A1 (0.35) KMT2AMEN1MAPK1MAPTCYP1A2
SCHEMBL17873932 0.84 ALDH1A1 (0.44) KMT2AKCNH2ALDH1A1POLBRAB9A
SCHEMBL4896692 0.80 CYP1A2 (0.37) KMT2AMEN1MAPK1MAPTCYP1A2
SCHEMBL4890507 0.79 FPR2 (0.33)
SCHEMBL2118299 0.78 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
Iodide SCHEMBL16164461 0.76 KMT2A (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2936956 0.76 TLR8 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4897261 0.76 ALDH1A1 (0.36) KMT2AMEN1MAPK1MAPTCYP1A2
SCHEMBL4231494 0.75 TLR8 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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-20080274305-A1 Liquid Crystal Sealant and Liquid Crystal Display Cell Utilizing the Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-11-06 US disclosed
EP-1780587-A1 LIQUID CRYSTAL SEALANT AND LIQUID CRYSTAL DISPLAY CELL UTILIZING THE SAME Nippon Kayaku Kabushiki Kaisha (JP) 2007-05-02 EP disclosed