SCHEMBL22490713

SCHEMBL22490713

C=C(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OCCC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
POLB P06746 1/20 0.68
APEX1 P27695 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
TSHR P16473 3/20 0.59
RARB P10826 4/20 0.54
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46

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
SCHEMBL22490709 0.94 TSHR (0.69) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13289974 0.94 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL13220831 0.94 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL16982216 0.94 HTT (0.76) HTTPOLBAPEX1TDP1TSHR
SCHEMBL14400544 0.93 HTT (0.73) HTTPOLBAPEX1TDP1TSHR
SCHEMBL5485944 0.90 HTT (0.70) HTTPOLBAPEX1TDP1TSHR
SCHEMBL22490710 0.89 POLB (0.55) HTTPOLBAPEX1TDP1TSHR
SCHEMBL14700607 0.89 HTT (0.68) HTTPOLBAPEX1TDP1TSHR
SCHEMBL9504195 0.89 HTT (0.68) HTTPOLBAPEX1TDP1TSHR
SCHEMBL29316003 0.89 POLB (0.72) HTTPOLBAPEX1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020196698-A1 POLYMER COMPOSITION, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND METHOD FOR PRODUCING SUBSTRATE HAVING LIQUID CRYSTAL ALIGNMENT FILM 日産化学株式会社 2020-10-01 WO disclosed