SCHEMBL1135902

SCHEMBL1135902

C=C(C)C(=O)OC1CCC(CCCC)CC1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.39
TSHR P16473 2/20 0.36
NAAA Q02083 1/20 0.36
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.32
TRPV1 Q8NER1 4/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL19860621 0.82
SCHEMBL11037969 0.81
SCHEMBL11039916 0.81
SCHEMBL11041050 0.80 MEN1 (0.30) MAPT
SCHEMBL25160924 0.80 TLR4 (0.33) TLR4TSHR
SCHEMBL11039914 0.79
SCHEMBL20052288 0.78
SCHEMBL11036276 0.78
SCHEMBL11043028 0.78
SCHEMBL11042432 0.78

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125935-B1 IMPROVED SYNTHESIS OF CATIONIC SILOXANE PREPOLYMERS BAUSCH & LOMB (US) 2011-02-23 EP disclosed
WO-2009070438-A1 OPTICAL MATERIAL AND METHOD FOR MODIFYING THE REFRACTIVE INDEX BAUSCH & LOMB INCORPORATED (US) 2009-06-04 WO disclosed
WO-2008039654-A2 WATER SOLUBLE SILICONE MACROMONOMERS FOR OPHTHALMIC MATERIALS BAUSCH & LOMB INCORPORATED (US) 2008-04-03 WO disclosed