SCHEMBL13837995

SCHEMBL13837995

C=C(C)C(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCOC(=O)C(=C)C)cc3)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 5/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FAAH O00519 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 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
SCHEMBL21266136 0.95 TDP1 (0.47) TDP1POLBAPEX1HTTMAPT
SCHEMBL13837965 0.94 POLB (0.55) TDP1POLBAPEX1HTTMAPT
SCHEMBL13837962 0.94 POLB (0.58) TDP1POLBAPEX1HTTMAPT
SCHEMBL13837975 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL13838060 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL13838006 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL13838124 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL13837969 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL13838120 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT
SCHEMBL13838134 0.93 POLB (0.60) TDP1POLBAPEX1HTTMAPT

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-9011714-B2 Liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-21 — — US disclosed
US-20120286198-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-15 — — US disclosed
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