SCHEMBL14944764

SCHEMBL14944764

C=C(C)C(=O)OCC(=O)Oc1cc(OC(=O)COC(=O)C(=C)C)cc(OC(=O)COC(=O)C(=C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
THRB P10828 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ELANE P08246 1/20 0.37
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL14944796 0.89 TSHR (0.34) TSHRTHRBTDP1HTTPOLB
SCHEMBL10234472 0.87 MAOB (0.35) TSHRTHRBTDP1HTTPOLB
SCHEMBL16559822 0.85 ELANE (0.43) TDP1HTTPOLBAPEX1ALDH1A1
SCHEMBL10234473 0.85 MAPT (0.35) TSHRTDP1HTTPOLBAPEX1
SCHEMBL10234471 0.84 ELANE (0.51) TSHRTDP1HTTPOLBAPEX1
SCHEMBL10064080 0.83 ELANE (0.43) TSHRTDP1HTTPOLBAPEX1
SCHEMBL22074733 0.83 LMNA (0.54) TDP1HTTPOLBAPEX1ALDH1A1
SCHEMBL4644211 0.83 GAA (0.54) TDP1HTTPOLBAPEX1ALDH1A1
SCHEMBL17717405 0.82 ALDH1A1 (0.41) TSHRTDP1HTTPOLBAPEX1
SCHEMBL18308846 0.82 ELANE (0.49) TSHRTHRBTDP1HTTPOLB

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-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed