SCHEMBL3811298

SCHEMBL3811298

C=C(C)C(=O)OCCc1ccc(C(C)CI)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STAT3 P40763 1/20 0.33
MET P08581 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
SCHEMBL146557 0.85 THRB (0.45) THRBTSHRPOLBAPEX1HTT
SCHEMBL11921516 0.83 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL22566492 0.82 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL26092718 0.79 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL10457799 0.79 THRB (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL1119186 0.77 NPC1 (0.51) THRBTSHRPOLBAPEX1HTT
SCHEMBL13221752 0.77 THRB (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL147451 0.77 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL296203 0.77 CA1 (0.49) THRBTSHRPOLBAPEX1HTT
SCHEMBL21083151 0.77 THRB (0.42) THRBTSHRPOLBAPEX1HTT

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-2032102-A2 OPTICAL MATERIAL AND METHOD FOR MODIFYING THE REFRACTIVE INDEX Bausch & Lomb Incorporated (US) 2009-03-11 EP disclosed
WO-2008002796-A2 OPTICAL MATERIAL AND METHOD FOR MODIFYING THE REFRACTIVE INDEX BAUSCH & LOMB INCORPORATED (US) 2008-01-03 WO disclosed