SCHEMBL28035136

SCHEMBL28035136

C=C(C)C(=O)OCCOc1ccc(Cc2ccc(CCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

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
LTA4H P09960 6/20 0.46
ALDH1A1 P00352 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACACB O00763 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL17036777 0.95 POLB (0.58) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL331665 0.95 POLB (0.58) POLBAPEX1HTTTDP1LTA4H
SCHEMBL17036987 0.91 POLB (0.55) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL17036971 0.90 POLB (0.63) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL10029272 0.88 POLB (0.58) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL5211513 0.88 POLB (0.65) POLBAPEX1HTTTDP1LTA4H
SCHEMBL25402465 0.88 POLB (0.61) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL454606 0.87 POLB (0.67) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL2154214 0.87 ALDH1A1 (0.58) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL24103806 0.86 POLB (0.64) POLBAPEX1HTTTDP1LTA4H

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
CN-102977896-B The manufacture method of liquid crystal display cells JSR CO., LTD. (JP) 2015-11-18 CN disclosed