SCHEMBL3914955

SCHEMBL3914955

COCCOCCO[Si](CCCOC(=O)c1ccncc1)(OCCOCCOC)OCCOCCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
ABCB11 O95342 1/20 0.45
ADRA2B P18089 1/20 0.45
OPRD1 P41143 1/20 0.45
SCN5A Q14524 1/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3908799 0.92 KMT2A (0.44) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL3910178 0.85 KDM4E (0.43) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL3916941 0.82 CYP19A1 (0.50) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL3916946 0.82 ALDH1A1 (0.47) CYP3A4KMT2AMAPTKDM4EALDH1A1
SCHEMBL3914339 0.82 KMT2A (0.49) CYP3A4KMT2AMAPTKDM4EALDH1A1
SCHEMBL14919008 0.80 TSHR (0.55) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL3911551 0.79 APP (0.51) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL17641405 0.77 KDM4E (0.57) KMT2AMAPTKDM4EALDH1A1LMNA
SCHEMBL3918074 0.75 ALDH1A1 (0.45) CYP3A4KMT2AMAPTKDM4EALDH1A1
SCHEMBL19688301 0.75 TDP1 (0.59) CYP3A4KMT2AKDM4EALDH1A1LMNA

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-20090277559-A1 METHOD FOR VULCANIZATION-ADHERING RUBBER COMPOSITION TO ADHERENT OF BRASS OR PLATED WITH BRASS, REINFORCING MEMBER FOR RUBBER ARTICLE, RUBBER-REINFORCING MEMBER COMPOSITE AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-11-12 US disclosed
EP-1840158-B1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2009-02-18 EP disclosed