SCHEMBL22490710

SCHEMBL22490710

C=C(C)C(=O)OCCCc1ccc(-c2ccc(OCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.47
ACACB O00763 3/20 0.46
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 1/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
RARB P10826 3/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL22490713 0.89 HTT (0.68) POLBAPEX1HTTTDP1L3MBTL1
SCHEMBL22561061 0.89 POLB (0.54) POLBAPEX1HTTTDP1TSHR
SCHEMBL18499952 0.88 POLB (0.53) POLBAPEX1HTTTDP1TSHR
SCHEMBL22001447 0.88 POLB (0.53) POLBAPEX1HTTTDP1TSHR
SCHEMBL28115017 0.87 POLB (0.57) POLBAPEX1HTTTDP1LMNA
SCHEMBL7003272 0.87 POLB (0.60) POLBAPEX1HTTTDP1LMNA
SCHEMBL28725903 0.86 POLB (0.63) POLBAPEX1HTTTDP1LMNA
SCHEMBL14981830 0.86 POLB (0.54) POLBAPEX1HTTTDP1LMNA
SCHEMBL68457 0.86 POLB (0.60) POLBAPEX1HTTTDP1LMNA
SCHEMBL17750813 0.85 POLB (0.49) POLBAPEX1HTTTDP1LMNA

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