SCHEMBL18721452

SCHEMBL18721452

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OCCOC(=O)C(=C)C)cc2OCCOC(=O)C(C)C)c(OCCOC(=O)C(=C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ INPPL1 O15357 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL15338931 0.92 POLB (0.51) HTTPOLBAPEX1TDP1THRB
SCHEMBL20807028 0.83 POLB (0.53) HTTPOLBAPEX1TDP1THRB
SCHEMBL16559838 0.81 POLB (0.44) HTTPOLBAPEX1TDP1THRB
SCHEMBL24440871 0.81 POLB (0.43) HTTPOLBAPEX1TDP1THRB
SCHEMBL20275161 0.80 TDP1 (0.50) HTTPOLBAPEX1TDP1THRB
SCHEMBL22845690 0.80 POLB (0.41) HTTPOLBAPEX1TDP1THRB
SCHEMBL20032595 0.80 POLB (0.39) HTTPOLBAPEX1TDP1TSHR
SCHEMBL19803990 0.80 TDP1 (0.43) HTTPOLBAPEX1TDP1THRB
SCHEMBL26713016 0.80 HTT (0.45) HTTPOLBAPEX1TDP1TSHR
SCHEMBL18486831 0.79 POLB (0.40) HTTPOLBAPEX1TDP1THRB

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
US-9617477-B2 Compound having four polymerizable groups, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-04-11 — — US disclosed
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