SCHEMBL14944796

SCHEMBL14944796

C=C(C)C(=O)OCC(=O)OCc1cc(OC(=O)COC(=O)C(=C)C)cc(OC(=O)COC(=O)C(=C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ELANE P08246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14944764 0.89 TSHR (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL10040732 0.83 ELANE (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL10040692 0.80 ELANE (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL10234472 0.78 MAOB (0.35) TSHRTDP1POLBAPEX1HTT
SCHEMBL23926511 0.77 ALDH1A1 (0.56) TDP1POLBALDH1A1L3MBTL1
SCHEMBL10064080 0.77 ELANE (0.43) TSHRTDP1POLBAPEX1HTT
SCHEMBL9299347 0.76 KMT2A (0.41) TSHRPOLBALDH1A1L3MBTL1
SCHEMBL16559822 0.76 ELANE (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL10234473 0.75 MAPT (0.35) TSHRTDP1POLBAPEX1HTT
SCHEMBL10234471 0.75 ELANE (0.51) TSHRTDP1POLBAPEX1HTT

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