SCHEMBL18161908

SCHEMBL18161908

C=C(/C=C\C(F)=C/C)C1(c2ccc(F)cc2)OC(=O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
TYMS P04818 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7573541 0.73 GAA (0.44) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7843306 0.67 CFTR (0.46) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19021292 0.66 CFTR (0.73) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18886744 0.66 CFTR (0.43) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18745548 0.65 LMNA (0.36) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1823331 0.64 CFTR (0.46) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19010401 0.64 CFTR (0.63) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7571843 0.61 CFTR (0.54) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19843857 0.61 CFTR (0.43) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19843866 0.60 MAPT (0.48) LMNASMN1; SMN2MAPTMEN1KMT2A

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-9624314-B2 Porous cyclodextrin polymeric materials and methods of making and using same CORNELL UNIVERSITY (US) 2017-04-18 US disclosed
US-20160304630-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME CORNELL UNIVERSITY 2016-10-20 US disclosed